N-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-3-amine

C16H16ClNO — CID 45244633

IUPACN-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
SMILESClc1cccc(CNC2COc3ccccc3C2)c1
InChIInChI=1S/C16H16ClNO/c17-14-6-3-4-12(8-14)10-18-15-9-13-5-1-2-7-16(13)19-11-15/h1-8,15,18H,9-11H2
InChIKeyXCCOKWREMIGIOM-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.43
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-3-amine

N-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-3-amine (PubChem CID 45244633) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
PubChem CID45244633
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC NameN-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
SMILESClc1cccc(CNC2COc3ccccc3C2)c1
InChIInChI=1S/C16H16ClNO/c17-14-6-3-4-12(8-14)10-18-15-9-13-5-1-2-7-16(13)19-11-15/h1-8,15,18H,9-11H2
InChIKeyXCCOKWREMIGIOM-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,1,3-benzoxadiazol-5-ylmethyl)-3,4-dihydro-2H-chromen-3-amine
CID 45239496
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dihydro-2H-chromen-3-amine
CID 45221693
2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]ethanol
CID 155711300
(3R)-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 29255868
N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 45221354
(3R)-N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 25308320
(3R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 29257290
(2S)-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9079755
N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 62539237
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
CID 65125309
N-[(3-cyclopropylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 107849884
N-fluoro-3,4-dihydro-2H-chromen-3-amine
CID 141437976

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-3-amine (CID 45244633) is N-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-3-amine is Clc1cccc(CNC2COc3ccccc3C2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is XCCOKWREMIGIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c17-14-6-3-4-12(8-14)10-18-15-9-13-5-1-2-7-16(13)19-11-15/h1-8,15,18H,9-11H2.
What are the key properties of N-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-3-amine?
N-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 273.76 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 45244633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).