5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pentan-2-amine

C15H22ClNO — CID 113451444

IUPAC5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pentan-2-amine
SMILESCC(CCCCl)NCC1CCOc2ccccc21
InChIInChI=1S/C15H22ClNO/c1-12(5-4-9-16)17-11-13-8-10-18-15-7-3-2-6-14(13)15/h2-3,6-7,12-13,17H,4-5,8-11H2,1H3
InChIKeyGILVARCUCDYSFA-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.55
Rot. Bonds6

About 5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pentan-2-amine

5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pentan-2-amine (PubChem CID 113451444) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pentan-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pentan-2-amine
PubChem CID113451444
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pentan-2-amine
SMILESCC(CCCCl)NCC1CCOc2ccccc21
InChIInChI=1S/C15H22ClNO/c1-12(5-4-9-16)17-11-13-8-10-18-15-7-3-2-6-14(13)15/h2-3,6-7,12-13,17H,4-5,8-11H2,1H3
InChIKeyGILVARCUCDYSFA-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylpentan-3-amine
CID 114177536
(2R)-2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoic acid
CID 104768961
N-[3-[3-(3,4-dihydro-2H-chromen-4-ylmethylamino)butyl]phenyl]methanesulfonamide
CID 54075118
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
ethyl 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoate
CID 115628852
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethoxy-3-methylbutan-2-amine
CID 103275857
5-(3,4-dihydro-2H-chromen-4-yl)pentan-2-ol
CID 104771921
4-[(1R)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methylamino]ethyl]benzenesulfonamide
CID 97113623
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 115718431
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine
CID 115756745

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pentan-2-amine?
The IUPAC name of 5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pentan-2-amine (CID 113451444) is 5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pentan-2-amine.
What is the SMILES notation for 5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pentan-2-amine?
The canonical SMILES for 5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pentan-2-amine is CC(CCCCl)NCC1CCOc2ccccc21.
What is the InChIKey of 5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pentan-2-amine?
The InChIKey is GILVARCUCDYSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-12(5-4-9-16)17-11-13-8-10-18-15-7-3-2-6-14(13)15/h2-3,6-7,12-13,17H,4-5,8-11H2,1H3.
What are the key properties of 5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pentan-2-amine?
5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pentan-2-amine has a molecular weight of 267.80 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pentan-2-amine is sourced from PubChem (CID 113451444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).