6-chloro-N-cyclopropyl-7-(3-methoxypropoxy)-2-propan-2-yl-2H-chromen-4-amine

C19H26ClNO3 — CID 156760227

IUPAC6-chloro-N-cyclopropyl-7-(3-methoxypropoxy)-2-propan-2-yl-2H-chromen-4-amine
SMILESCOCCCOc1cc2c(cc1Cl)C(NC1CC1)=CC(C(C)C)O2
InChIInChI=1S/C19H26ClNO3/c1-12(2)17-10-16(21-13-5-6-13)14-9-15(20)19(11-18(14)24-17)23-8-4-7-22-3/h9-13,17,21H,4-8H2,1-3H3
InChIKeyPTZFSWAFOSEEKM-UHFFFAOYSA-N
MW351.87 g/mol
LogP4.27
Rot. Bonds8

About 6-chloro-N-cyclopropyl-7-(3-methoxypropoxy)-2-propan-2-yl-2H-chromen-4-amine

6-chloro-N-cyclopropyl-7-(3-methoxypropoxy)-2-propan-2-yl-2H-chromen-4-amine (PubChem CID 156760227) has the molecular formula C19H26ClNO3 and a molecular weight of 351.87 g/mol. Its IUPAC name is 6-chloro-N-cyclopropyl-7-(3-methoxypropoxy)-2-propan-2-yl-2H-chromen-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopropyl-7-(3-methoxypropoxy)-2-propan-2-yl-2H-chromen-4-amine
PubChem CID156760227
Molecular FormulaC19H26ClNO3
Molecular Weight351.87 g/mol
Exact Mass351.16
IUPAC Name6-chloro-N-cyclopropyl-7-(3-methoxypropoxy)-2-propan-2-yl-2H-chromen-4-amine
SMILESCOCCCOc1cc2c(cc1Cl)C(NC1CC1)=CC(C(C)C)O2
InChIInChI=1S/C19H26ClNO3/c1-12(2)17-10-16(21-13-5-6-13)14-9-15(20)19(11-18(14)24-17)23-8-4-7-22-3/h9-13,17,21H,4-8H2,1-3H3
InChIKeyPTZFSWAFOSEEKM-UHFFFAOYSA-N
XLogP4.27
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.87
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-ethyl-6-methoxy-7-(3-methoxypropoxy)-2H-chromen-4-amine
CID 156760203
N-cyclopropyl-6-methoxy-7-phenylmethoxy-2-propan-2-yl-2H-chromen-4-amine
CID 156760212
N-cyclobutyl-6-fluoro-7-(3-methoxypropoxy)-2-(3-methyloxetan-3-yl)-2H-chromen-4-amine
CID 156760214
6-chloro-N-cyclopropyl-2-(3-methyloxetan-3-yl)-7-(2-trimethylsilylethoxymethoxy)-2H-chromen-4-amine
CID 172728052
methyl 2-chloro-3-(3-methoxypropoxy)-6-methyl-10-oxo-6H-pyrido[1,2-c][1,3]benzoxazine-9-carboxylate
CID 139466141
9-chloro-1-(3,3-difluorocyclobutyl)-8-(3-methoxypropoxy)-2-oxo-5-propan-2-yl-5H-chromeno[4,3-b]pyridine-3-carboxylic acid
CID 138680364
(7R)-2-chloro-10-iodo-3-(3-methoxypropoxy)-7-propan-2-yl-6,7-dihydropyrido[1,2-d][1,4]benzoxazepin-11-one
CID 139462096
(7S)-2-chloro-3-(3-methoxypropoxy)-11-oxo-7-propan-2-yl-6,7-dihydropyrido[1,2-d][1,4]benzoxazepine-10-carboxylic acid
CID 139581881
N-[[2-chloro-4-methoxy-5-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 59494193
(7R)-2-chloro-3-(3-methoxypropoxy)-10-(3-methyl-2-pyridinyl)-7-propan-2-yl-6,7-dihydropyrido[1,2-d][1,4]benzoxazepin-11-one
CID 139462321
(6S)-9-acetyl-2-chloro-3-(3-methoxypropoxy)-6-(1,3-thiazol-4-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-10-one
CID 158379953
ethyl 2-chloro-3-(3-methoxypropoxy)-10-oxo-6-thiophen-2-yl-6H-pyrido[1,2-c][1,3]benzoxazine-9-carboxylate
CID 146330498

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopropyl-7-(3-methoxypropoxy)-2-propan-2-yl-2H-chromen-4-amine?
The IUPAC name of 6-chloro-N-cyclopropyl-7-(3-methoxypropoxy)-2-propan-2-yl-2H-chromen-4-amine (CID 156760227) is 6-chloro-N-cyclopropyl-7-(3-methoxypropoxy)-2-propan-2-yl-2H-chromen-4-amine.
What is the SMILES notation for 6-chloro-N-cyclopropyl-7-(3-methoxypropoxy)-2-propan-2-yl-2H-chromen-4-amine?
The canonical SMILES for 6-chloro-N-cyclopropyl-7-(3-methoxypropoxy)-2-propan-2-yl-2H-chromen-4-amine is COCCCOc1cc2c(cc1Cl)C(NC1CC1)=CC(C(C)C)O2.
What is the InChIKey of 6-chloro-N-cyclopropyl-7-(3-methoxypropoxy)-2-propan-2-yl-2H-chromen-4-amine?
The InChIKey is PTZFSWAFOSEEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClNO3/c1-12(2)17-10-16(21-13-5-6-13)14-9-15(20)19(11-18(14)24-17)23-8-4-7-22-3/h9-13,17,21H,4-8H2,1-3H3.
What are the key properties of 6-chloro-N-cyclopropyl-7-(3-methoxypropoxy)-2-propan-2-yl-2H-chromen-4-amine?
6-chloro-N-cyclopropyl-7-(3-methoxypropoxy)-2-propan-2-yl-2H-chromen-4-amine has a molecular weight of 351.87 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopropyl-7-(3-methoxypropoxy)-2-propan-2-yl-2H-chromen-4-amine is sourced from PubChem (CID 156760227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).