N-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine

C16H16ClNO — CID 12851989

IUPACN-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine
SMILESClc1ccc2c(c1)C(NCc1ccccc1)CCO2
InChIInChI=1S/C16H16ClNO/c17-13-6-7-16-14(10-13)15(8-9-19-16)18-11-12-4-2-1-3-5-12/h1-7,10,15,18H,8-9,11H2
InChIKeyYEMDVIRDDJLBHU-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.95
Rot. Bonds3

About N-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine

N-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine (PubChem CID 12851989) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is N-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine
PubChem CID12851989
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC NameN-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine
SMILESClc1ccc2c(c1)C(NCc1ccccc1)CCO2
InChIInChI=1S/C16H16ClNO/c17-13-6-7-16-14(10-13)15(8-9-19-16)18-11-12-4-2-1-3-5-12/h1-7,10,15,18H,8-9,11H2
InChIKeyYEMDVIRDDJLBHU-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-6-bromo-3,4-dihydro-2H-chromen-4-amine
CID 43757033
N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 12851988
(6-chloro-3,4-dihydro-2H-chromen-4-yl)hydrazine
CID 53403029
N-[(3,4,5-trifluorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 63051373
N-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221295
4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2,6-difluorophenol
CID 79831854
6-fluoro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82461647
6-methyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461441
6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 15148408
N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 62760281
8-bromo-N-[(4-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43772106
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-phenoxybutanamide
CID 108764801

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine (CID 12851989) is N-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine is Clc1ccc2c(c1)C(NCc1ccccc1)CCO2.
What is the InChIKey of N-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is YEMDVIRDDJLBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c17-13-6-7-16-14(10-13)15(8-9-19-16)18-11-12-4-2-1-3-5-12/h1-7,10,15,18H,8-9,11H2.
What are the key properties of N-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine?
N-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 273.76 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 12851989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).