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

C18H27NO — CID 104768239

IUPACN-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(NCC2CCOc3ccccc32)C1C
InChIInChI=1S/C18H27NO/c1-13-6-5-8-17(14(13)2)19-12-15-10-11-20-18-9-4-3-7-16(15)18/h3-4,7,9,13-15,17,19H,5-6,8,10-12H2,1-2H3
InChIKeyFEVKLNIZAANMQE-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.97
Rot. Bonds3

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

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,3-dimethylcyclohexan-1-amine (PubChem CID 104768239) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,3-dimethylcyclohexan-1-amine
PubChem CID104768239
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(NCC2CCOc3ccccc32)C1C
InChIInChI=1S/C18H27NO/c1-13-6-5-8-17(14(13)2)19-12-15-10-11-20-18-9-4-3-7-16(15)18/h3-4,7,9,13-15,17,19H,5-6,8,10-12H2,1-2H3
InChIKeyFEVKLNIZAANMQE-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine
CID 63772601
2-(chloromethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclohexan-1-amine
CID 106365134
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylcyclobutan-1-amine
CID 113320280
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 104768322
[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methylcyclopentyl)ethyl]hydrazine
CID 107194689
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
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-ethylcyclohexan-1-amine
CID 115653655
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421
N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1-benzofuran-3-amine
CID 64763118
N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 43223515
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,3-dimethylcyclohexan-1-amine
CID 104768402

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,3-dimethylcyclohexan-1-amine (CID 104768239) is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,3-dimethylcyclohexan-1-amine is CC1CCCC(NCC2CCOc3ccccc32)C1C.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,3-dimethylcyclohexan-1-amine?
The InChIKey is FEVKLNIZAANMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13-6-5-8-17(14(13)2)19-12-15-10-11-20-18-9-4-3-7-16(15)18/h3-4,7,9,13-15,17,19H,5-6,8,10-12H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,3-dimethylcyclohexan-1-amine?
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,3-dimethylcyclohexan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 104768239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).