N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine

C17H18ClNO — CID 81366354

IUPACN-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
SMILESC[C@@H](NC1CCOc2ccccc21)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO/c1-12(13-5-4-6-14(18)11-13)19-16-9-10-20-17-8-3-2-7-15(16)17/h2-8,11-12,16,19H,9-10H2,1H3/t12-,16?/m1/s1
InChIKeyFRRNVVPYMQYRSS-ZGTOLYCTSA-N
MW287.79 g/mol
LogP4.51
Rot. Bonds3

About N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine

N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 81366354) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID81366354
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC NameN-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
SMILESC[C@@H](NC1CCOc2ccccc21)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO/c1-12(13-5-4-6-14(18)11-13)19-16-9-10-20-17-8-3-2-7-15(16)17/h2-8,11-12,16,19H,9-10H2,1H3/t12-,16?/m1/s1
InChIKeyFRRNVVPYMQYRSS-ZGTOLYCTSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81364817
N-[1-(2,5-dichlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 43723835
N-(1-thiophen-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 62091395
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81367470
7-chloro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 79982699
6-[1-(3,4-dihydro-2H-chromen-4-ylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 126808880
4-[1-(3,4-dihydro-2H-chromen-4-ylamino)ethyl]benzonitrile
CID 43692400
N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149523
(2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)-2-phenylethanol
CID 103788750
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83066315
N-[(1R)-1-(3-chlorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701301
5-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81366167

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine (CID 81366354) is N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine is C[C@@H](NC1CCOc2ccccc21)c1cccc(Cl)c1.
What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is FRRNVVPYMQYRSS-ZGTOLYCTSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-12(13-5-4-6-14(18)11-13)19-16-9-10-20-17-8-3-2-7-15(16)17/h2-8,11-12,16,19H,9-10H2,1H3/t12-,16?/m1/s1.
What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 287.79 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 81366354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).