4-[[(3-butoxyphenyl)methylamino]methyl]cyclohexan-1-amine

C18H30N2O — CID 59230604

IUPAC4-[[(3-butoxyphenyl)methylamino]methyl]cyclohexan-1-amine
SMILESCCCCOc1cccc(CNCC2CCC(N)CC2)c1
InChIInChI=1S/C18H30N2O/c1-2-3-11-21-18-6-4-5-16(12-18)14-20-13-15-7-9-17(19)10-8-15/h4-6,12,15,17,20H,2-3,7-11,13-14,19H2,1H3
InChIKeySFHFNYVMWFWHNT-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.47
Rot. Bonds8

About 4-[[(3-butoxyphenyl)methylamino]methyl]cyclohexan-1-amine

4-[[(3-butoxyphenyl)methylamino]methyl]cyclohexan-1-amine (PubChem CID 59230604) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-[[(3-butoxyphenyl)methylamino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[(3-butoxyphenyl)methylamino]methyl]cyclohexan-1-amine
PubChem CID59230604
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4-[[(3-butoxyphenyl)methylamino]methyl]cyclohexan-1-amine
SMILESCCCCOc1cccc(CNCC2CCC(N)CC2)c1
InChIInChI=1S/C18H30N2O/c1-2-3-11-21-18-6-4-5-16(12-18)14-20-13-15-7-9-17(19)10-8-15/h4-6,12,15,17,20H,2-3,7-11,13-14,19H2,1H3
InChIKeySFHFNYVMWFWHNT-UHFFFAOYSA-N
XLogP3.47
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
1-[(3-butoxyphenyl)methyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
CID 111869309
1-(3-butoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 54804115
1-[(3-butoxyphenyl)methylamino]propan-2-ol
CID 54849199
N-[(3-ethoxyphenyl)methyl]-1-(thian-4-yl)methanamine
CID 115625903
2-[3-[(cyclopropylmethylamino)methyl]phenoxy]acetonitrile
CID 43756743
1-cyclopropyl-N-[(2,4-dibutoxyphenyl)methyl]methanamine
CID 54805012
N-[(3-pentoxyphenyl)methyl]hexadecan-1-amine
CID 54847860
1-(3-butoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 39369735
1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene
CID 59545229
N-[(3-hexoxyphenyl)methyl]cyclopentanamine
CID 54850259
1-amino-N-[(3-butoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 83326258

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-butoxyphenyl)methylamino]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[(3-butoxyphenyl)methylamino]methyl]cyclohexan-1-amine (CID 59230604) is 4-[[(3-butoxyphenyl)methylamino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[(3-butoxyphenyl)methylamino]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[(3-butoxyphenyl)methylamino]methyl]cyclohexan-1-amine is CCCCOc1cccc(CNCC2CCC(N)CC2)c1.
What is the InChIKey of 4-[[(3-butoxyphenyl)methylamino]methyl]cyclohexan-1-amine?
The InChIKey is SFHFNYVMWFWHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-2-3-11-21-18-6-4-5-16(12-18)14-20-13-15-7-9-17(19)10-8-15/h4-6,12,15,17,20H,2-3,7-11,13-14,19H2,1H3.
What are the key properties of 4-[[(3-butoxyphenyl)methylamino]methyl]cyclohexan-1-amine?
4-[[(3-butoxyphenyl)methylamino]methyl]cyclohexan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-butoxyphenyl)methylamino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 59230604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).