4-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)aniline

C16H16ClNO — CID 104768223

IUPAC4-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)aniline
SMILESClc1ccc(NCC2CCOc3ccccc32)cc1
InChIInChI=1S/C16H16ClNO/c17-13-5-7-14(8-6-13)18-11-12-9-10-19-16-4-2-1-3-15(12)16/h1-8,12,18H,9-11H2
InChIKeyMQGGLYFKVGLCMC-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.32
Rot. Bonds3

About 4-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)aniline

4-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)aniline (PubChem CID 104768223) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 4-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)aniline
PubChem CID104768223
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name4-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)aniline
SMILESClc1ccc(NCC2CCOc3ccccc32)cc1
InChIInChI=1S/C16H16ClNO/c17-13-5-7-14(8-6-13)18-11-12-9-10-19-16-4-2-1-3-15(12)16/h1-8,12,18H,9-11H2
InChIKeyMQGGLYFKVGLCMC-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-iodoaniline
CID 104768255
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-fluoroaniline
CID 115756557
2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide
CID 110709330
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-propan-2-ylaniline
CID 104768252
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4,5-dimethylimidazol-1-yl)aniline
CID 166216140
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(methoxymethyl)aniline
CID 115756563
1-(4-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 104769739
5-chloro-4-(3,4-dihydro-2H-chromen-4-ylmethylamino)-1H-pyridazin-6-one
CID 133293414
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)aniline?
The IUPAC name of 4-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)aniline (CID 104768223) is 4-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)aniline.
What is the SMILES notation for 4-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)aniline?
The canonical SMILES for 4-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)aniline is Clc1ccc(NCC2CCOc3ccccc32)cc1.
What is the InChIKey of 4-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)aniline?
The InChIKey is MQGGLYFKVGLCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c17-13-5-7-14(8-6-13)18-11-12-9-10-19-16-4-2-1-3-15(12)16/h1-8,12,18H,9-11H2.
What are the key properties of 4-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)aniline?
4-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)aniline has a molecular weight of 273.76 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)aniline is sourced from PubChem (CID 104768223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).