2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpropan-1-amine

C14H20ClNO — CID 104771323

IUPAC2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpropan-1-amine
SMILESCC(Cl)CN(C)CC1CCOc2ccccc21
InChIInChI=1S/C14H20ClNO/c1-11(15)9-16(2)10-12-7-8-17-14-6-4-3-5-13(12)14/h3-6,11-12H,7-10H2,1-2H3
InChIKeyJTAXHNWOXCUZBA-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.11
Rot. Bonds4

About 2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpropan-1-amine

2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpropan-1-amine (PubChem CID 104771323) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpropan-1-amine
PubChem CID104771323
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpropan-1-amine
SMILESCC(Cl)CN(C)CC1CCOc2ccccc21
InChIInChI=1S/C14H20ClNO/c1-11(15)9-16(2)10-12-7-8-17-14-6-4-3-5-13(12)14/h3-6,11-12H,7-10H2,1-2H3
InChIKeyJTAXHNWOXCUZBA-UHFFFAOYSA-N
XLogP3.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylpropan-1-amine
CID 79229839
2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]propan-1-ol
CID 113451391
1-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]propan-2-ol
CID 79229669
2-[3,4-dihydro-2H-chromen-4-ylmethyl(propan-2-yl)amino]ethanol
CID 115880053
1-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-N-methylpropane-1,2-diamine
CID 79230396
1-(3,4-dihydro-2H-chromen-4-yl)butane-2,3-diol
CID 103452745
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]-N'-hydroxypropanimidamide
CID 104768583
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpropan-1-amine?
The IUPAC name of 2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpropan-1-amine (CID 104771323) is 2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpropan-1-amine is CC(Cl)CN(C)CC1CCOc2ccccc21.
What is the InChIKey of 2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpropan-1-amine?
The InChIKey is JTAXHNWOXCUZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-11(15)9-16(2)10-12-7-8-17-14-6-4-3-5-13(12)14/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpropan-1-amine?
2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpropan-1-amine has a molecular weight of 253.77 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpropan-1-amine is sourced from PubChem (CID 104771323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).