2-(chloromethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-amine

C17H24ClNO — CID 106365134

IUPAC2-(chloromethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-amine
SMILESClCC1CCCCC1NCC1CCOc2ccccc21
InChIInChI=1S/C17H24ClNO/c18-11-13-5-1-3-7-16(13)19-12-14-9-10-20-17-8-4-2-6-15(14)17/h2,4,6,8,13-14,16,19H,1,3,5,7,9-12H2
InChIKeyVYMBLSDHSBYSOM-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.94
Rot. Bonds4

About 2-(chloromethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-amine

2-(chloromethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-amine (PubChem CID 106365134) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 2-(chloromethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-amine
PubChem CID106365134
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name2-(chloromethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-amine
SMILESClCC1CCCCC1NCC1CCOc2ccccc21
InChIInChI=1S/C17H24ClNO/c18-11-13-5-1-3-7-16(13)19-12-14-9-10-20-17-8-4-2-6-15(14)17/h2,4,6,8,13-14,16,19H,1,3,5,7,9-12H2
InChIKeyVYMBLSDHSBYSOM-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.94
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

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,3-dimethylcyclohexan-1-amine
CID 104768239
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-propylcyclohexan-1-amine
CID 104771127
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 115757137
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylcyclobutan-1-amine
CID 113320280
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 104768322
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)-1,1-dioxothian-3-amine
CID 115756883
4-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)aniline
CID 104768223
2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide
CID 104768242
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclohexan-1-amine
CID 115653655

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-(chloromethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-amine (CID 106365134) is 2-(chloromethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(chloromethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-(chloromethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-amine is ClCC1CCCCC1NCC1CCOc2ccccc21.
What is the InChIKey of 2-(chloromethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-amine?
The InChIKey is VYMBLSDHSBYSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c18-11-13-5-1-3-7-16(13)19-12-14-9-10-20-17-8-4-2-6-15(14)17/h2,4,6,8,13-14,16,19H,1,3,5,7,9-12H2.
What are the key properties of 2-(chloromethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-amine?
2-(chloromethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-amine has a molecular weight of 293.84 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 106365134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).