2-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine

C18H29NO — CID 64765538

IUPAC2-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
SMILESCOc1cccc(CC(C)(C)C2CCC(C)CC2N)c1
InChIInChI=1S/C18H29NO/c1-13-8-9-16(17(19)10-13)18(2,3)12-14-6-5-7-15(11-14)20-4/h5-7,11,13,16-17H,8-10,12,19H2,1-4H3
InChIKeyDEOQIHSCDIRXPS-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.03
Rot. Bonds4

About 2-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine

2-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine (PubChem CID 64765538) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
PubChem CID64765538
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
SMILESCOc1cccc(CC(C)(C)C2CCC(C)CC2N)c1
InChIInChI=1S/C18H29NO/c1-13-8-9-16(17(19)10-13)18(2,3)12-14-6-5-7-15(11-14)20-4/h5-7,11,13,16-17H,8-10,12,19H2,1-4H3
InChIKeyDEOQIHSCDIRXPS-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,6-difluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
CID 114934448
2-[1-(5-bromo-2-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
CID 64765911
1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene
CID 70967395
2-(3-methoxyphenoxy)-4-methylcyclohexan-1-amine
CID 16788224
[2-(3-methoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293897
2-(3-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65400147
1-(3-methoxyphenyl)-N,2-dimethylpropan-2-amine
CID 82125732
[2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine
CID 81011141
2-[1-(5-ethylthiophen-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
CID 64765540
3-(3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 86277152
(3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane
CID 10267530
8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61233101

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine?
The IUPAC name of 2-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine (CID 64765538) is 2-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine?
The canonical SMILES for 2-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine is COc1cccc(CC(C)(C)C2CCC(C)CC2N)c1.
What is the InChIKey of 2-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine?
The InChIKey is DEOQIHSCDIRXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13-8-9-16(17(19)10-13)18(2,3)12-14-6-5-7-15(11-14)20-4/h5-7,11,13,16-17H,8-10,12,19H2,1-4H3.
What are the key properties of 2-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine?
2-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine is sourced from PubChem (CID 64765538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).