N-[(4-chlorophenyl)methyl]-1-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methanamine

C18H20ClNO2 — CID 10805476

IUPACN-[(4-chlorophenyl)methyl]-1-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methanamine
SMILESCOc1ccc2c(c1)OC(CNCc1ccc(Cl)cc1)CC2
InChIInChI=1S/C18H20ClNO2/c1-21-16-8-4-14-5-9-17(22-18(14)10-16)12-20-11-13-2-6-15(19)7-3-13/h2-4,6-8,10,17,20H,5,9,11-12H2,1H3
InChIKeyYSVOILRWQKLIIA-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.83
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methanamine

N-[(4-chlorophenyl)methyl]-1-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methanamine (PubChem CID 10805476) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methanamine
PubChem CID10805476
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methanamine
SMILESCOc1ccc2c(c1)OC(CNCc1ccc(Cl)cc1)CC2
InChIInChI=1S/C18H20ClNO2/c1-21-16-8-4-14-5-9-17(22-18(14)10-16)12-20-11-13-2-6-15(19)7-3-13/h2-4,6-8,10,17,20H,5,9,11-12H2,1H3
InChIKeyYSVOILRWQKLIIA-UHFFFAOYSA-N
XLogP3.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(benzylamino)methyl]-3,4-dihydro-2H-chromen-7-ol
CID 10378389
N-ethyl-7-methoxy-3,4-dihydro-2H-chromen-2-amine
CID 70260790
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-chlorophenyl)methyl]methanamine
CID 66391607
N-benzyl-1-[(3S)-6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 10731859
N-benzyl-1-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methanamine;2-(bromomethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene;methane;phenylmethanamine;hydrochloride
CID 158865969
(2R)-2-[(benzylamino)methyl]-6-chloro-3,4-dihydro-2H-chromen-7-ol
CID 10685891
2,7-dimethoxy-3,4-dihydro-2H-chromene
CID 14415640
3-(3-chlorophenoxy)-N-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine
CID 10113997
N-benzyl-2-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)ethanamine
CID 70035446
bis[2-[(pentylamino)methyl]-3,4-dihydro-2H-chromen-7-yl] oxalate
CID 70054549
N-[(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)methyl]-N-(3-hydroxypropyl)-methylboronamidic acid;3-[(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methylamino]propan-1-ol
CID 157344058
1-(3,4-dihydro-2H-pyran-2-yl)-N-[(4-methoxyphenyl)methyl]methanamine
CID 55030445

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methanamine (CID 10805476) is N-[(4-chlorophenyl)methyl]-1-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methanamine is COc1ccc2c(c1)OC(CNCc1ccc(Cl)cc1)CC2.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methanamine?
The InChIKey is YSVOILRWQKLIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-21-16-8-4-14-5-9-17(22-18(14)10-16)12-20-11-13-2-6-15(19)7-3-13/h2-4,6-8,10,17,20H,5,9,11-12H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methanamine?
N-[(4-chlorophenyl)methyl]-1-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methanamine has a molecular weight of 317.82 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methanamine is sourced from PubChem (CID 10805476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).