1-(cyclohexylmethoxy)-1-(4-methylphenyl)butan-2-amine

C18H29NO — CID 62383299

IUPAC1-(cyclohexylmethoxy)-1-(4-methylphenyl)butan-2-amine
SMILESCCC(N)C(OCC1CCCCC1)c1ccc(C)cc1
InChIInChI=1S/C18H29NO/c1-3-17(19)18(16-11-9-14(2)10-12-16)20-13-15-7-5-4-6-8-15/h9-12,15,17-18H,3-8,13,19H2,1-2H3
InChIKeyRNNPUOYQHTWLLI-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.37
Rot. Bonds6

About 1-(cyclohexylmethoxy)-1-(4-methylphenyl)butan-2-amine

1-(cyclohexylmethoxy)-1-(4-methylphenyl)butan-2-amine (PubChem CID 62383299) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(cyclohexylmethoxy)-1-(4-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(cyclohexylmethoxy)-1-(4-methylphenyl)butan-2-amine
PubChem CID62383299
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(cyclohexylmethoxy)-1-(4-methylphenyl)butan-2-amine
SMILESCCC(N)C(OCC1CCCCC1)c1ccc(C)cc1
InChIInChI=1S/C18H29NO/c1-3-17(19)18(16-11-9-14(2)10-12-16)20-13-15-7-5-4-6-8-15/h9-12,15,17-18H,3-8,13,19H2,1-2H3
InChIKeyRNNPUOYQHTWLLI-UHFFFAOYSA-N
XLogP4.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-1-(cyclohexylmethoxy)butan-2-amine
CID 63460497
1-(2-cyclobutylethoxy)-1-(4-methylphenyl)butan-2-amine
CID 106200131
1-(cyclopropylmethoxy)-1-(4-methoxyphenyl)butan-2-amine
CID 55015865
1-(cyclopentylmethoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 66322795
1-(4-bromophenyl)-1-(cyclohexylmethoxy)propan-2-amine
CID 62382192
1-(cyclopentylmethoxy)-1-(furan-2-yl)butan-2-amine
CID 66324500
1-(oxan-4-ylmethoxy)-1-pyridin-4-ylbutan-2-amine
CID 62382206
2-(cyclohexylmethoxy)-1-(4-methylphenyl)propan-1-ol
CID 62383408
1-(4-methylphenyl)-1-(2-propoxyethoxy)butan-2-amine
CID 55233645
1-[2-bromo-1-(cyclopentylmethoxy)ethyl]-4-methylbenzene
CID 66321621
2-(cyclohexylmethoxy)pentan-3-amine
CID 62383892
1-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)butan-2-amine
CID 63536931

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethoxy)-1-(4-methylphenyl)butan-2-amine?
The IUPAC name of 1-(cyclohexylmethoxy)-1-(4-methylphenyl)butan-2-amine (CID 62383299) is 1-(cyclohexylmethoxy)-1-(4-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(cyclohexylmethoxy)-1-(4-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(cyclohexylmethoxy)-1-(4-methylphenyl)butan-2-amine is CCC(N)C(OCC1CCCCC1)c1ccc(C)cc1.
What is the InChIKey of 1-(cyclohexylmethoxy)-1-(4-methylphenyl)butan-2-amine?
The InChIKey is RNNPUOYQHTWLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-17(19)18(16-11-9-14(2)10-12-16)20-13-15-7-5-4-6-8-15/h9-12,15,17-18H,3-8,13,19H2,1-2H3.
What are the key properties of 1-(cyclohexylmethoxy)-1-(4-methylphenyl)butan-2-amine?
1-(cyclohexylmethoxy)-1-(4-methylphenyl)butan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethoxy)-1-(4-methylphenyl)butan-2-amine is sourced from PubChem (CID 62383299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).