N-[(1R)-1-cyclohexylethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine

C18H27NO — CID 104524318

IUPACN-[(1R)-1-cyclohexylethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCC1COc2ccccc2C1N[C@H](C)C1CCCCC1
InChIInChI=1S/C18H27NO/c1-13-12-20-17-11-7-6-10-16(17)18(13)19-14(2)15-8-4-3-5-9-15/h6-7,10-11,13-15,18-19H,3-5,8-9,12H2,1-2H3/t13?,14-,18?/m1/s1
InChIKeyWGBLUGXFJBGGGZ-TXKKKEFDSA-N
MW273.42 g/mol
LogP4.31
Rot. Bonds3

About N-[(1R)-1-cyclohexylethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine

N-[(1R)-1-cyclohexylethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104524318) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID104524318
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[(1R)-1-cyclohexylethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCC1COc2ccccc2C1N[C@H](C)C1CCCCC1
InChIInChI=1S/C18H27NO/c1-13-12-20-17-11-7-6-10-16(17)18(13)19-14(2)15-8-4-3-5-9-15/h6-7,10-11,13-15,18-19H,3-5,8-9,12H2,1-2H3/t13?,14-,18?/m1/s1
InChIKeyWGBLUGXFJBGGGZ-TXKKKEFDSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(2-propan-2-ylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 104524355
3-methyl-N-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 104523746
3-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
CID 104524260
3-methyl-N-(1-thiophen-2-ylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 104523855
N-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide
CID 104524073
methyl (2S)-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanoate
CID 104523978
4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]pentan-1-ol
CID 113422664
(1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 81395215
3-methyl-N-(2-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104523757
3-methyl-N-[(1S)-1-pyridin-3-ylethyl]-3,4-dihydro-2H-chromen-4-amine
CID 104524329
3-[1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol
CID 104523999
N-[(1R)-1-(3-fluorophenyl)ethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524304

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine (CID 104524318) is N-[(1R)-1-cyclohexylethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine is CC1COc2ccccc2C1N[C@H](C)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is WGBLUGXFJBGGGZ-TXKKKEFDSA-N. The full InChI is InChI=1S/C18H27NO/c1-13-12-20-17-11-7-6-10-16(17)18(13)19-14(2)15-8-4-3-5-9-15/h6-7,10-11,13-15,18-19H,3-5,8-9,12H2,1-2H3/t13?,14-,18?/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine?
N-[(1R)-1-cyclohexylethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 273.42 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104524318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).