N-[(3-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine

C18H29NO — CID 129034350

IUPACN-[(3-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCOc1cccc(CN(C)C2CCC(C(C)C)CC2)c1
InChIInChI=1S/C18H29NO/c1-14(2)16-8-10-17(11-9-16)19(3)13-15-6-5-7-18(12-15)20-4/h5-7,12,14,16-17H,8-11,13H2,1-4H3
InChIKeySBFWQFXFZLULJO-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.34
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine

N-[(3-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 129034350) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID129034350
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCOc1cccc(CN(C)C2CCC(C(C)C)CC2)c1
InChIInChI=1S/C18H29NO/c1-14(2)16-8-10-17(11-9-16)19(3)13-15-6-5-7-18(12-15)20-4/h5-7,12,14,16-17H,8-11,13H2,1-4H3
InChIKeySBFWQFXFZLULJO-UHFFFAOYSA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 62708961
4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79119525
1-N-[(3-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
CID 79468311
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677
N-(dicyclopropylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62558489
1-cyclopropyl-N-ethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 63913879
2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
CID 61420564
4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 115149922
(2S)-3-cyclopropyl-1-N-[(3-methoxyphenyl)methyl]-1-N-methylpropane-1,2-diamine
CID 112736512
2-N-[(3-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420082
N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61419887

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine (CID 129034350) is N-[(3-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine is COc1cccc(CN(C)C2CCC(C(C)C)CC2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is SBFWQFXFZLULJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14(2)16-8-10-17(11-9-16)19(3)13-15-6-5-7-18(12-15)20-4/h5-7,12,14,16-17H,8-11,13H2,1-4H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
N-[(3-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 129034350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).