4-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclohexan-1-amine

C16H26N2O — CID 115213507

IUPAC4-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclohexan-1-amine
SMILESCOc1ccccc1CCNCC1CCC(N)CC1
InChIInChI=1S/C16H26N2O/c1-19-16-5-3-2-4-14(16)10-11-18-12-13-6-8-15(17)9-7-13/h2-5,13,15,18H,6-12,17H2,1H3
InChIKeyQRTQPYRZUNLDIA-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.34
Rot. Bonds6

About 4-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclohexan-1-amine

4-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclohexan-1-amine (PubChem CID 115213507) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclohexan-1-amine
PubChem CID115213507
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclohexan-1-amine
SMILESCOc1ccccc1CCNCC1CCC(N)CC1
InChIInChI=1S/C16H26N2O/c1-19-16-5-3-2-4-14(16)10-11-18-12-13-6-8-15(17)9-7-13/h2-5,13,15,18H,6-12,17H2,1H3
InChIKeyQRTQPYRZUNLDIA-UHFFFAOYSA-N
XLogP2.34
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.34
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

2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106261295
2-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 106259721
3-N-[2-(2-methoxyphenyl)ethyl]cyclopentane-1,3-diamine
CID 114165383
2-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106259714
1-(cyclopropylmethoxy)-3-[2-(2-methoxyphenyl)ethylamino]propan-2-ol
CID 106261580
4-[[(5-fluoro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213425
1-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 103775898
2-N-[2-(2-methoxyphenyl)ethyl]cyclohexane-1,2-diamine
CID 115118101
2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine
CID 60984047
N'-[2-(2-methoxyphenyl)ethyl]butane-1,4-diamine
CID 115201470
4-[2-(2-methoxyphenyl)ethylamino]butan-2-ol
CID 106261294
2-(2-methoxyphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
CID 115238770

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclohexan-1-amine (CID 115213507) is 4-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclohexan-1-amine is COc1ccccc1CCNCC1CCC(N)CC1.
What is the InChIKey of 4-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclohexan-1-amine?
The InChIKey is QRTQPYRZUNLDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-19-16-5-3-2-4-14(16)10-11-18-12-13-6-8-15(17)9-7-13/h2-5,13,15,18H,6-12,17H2,1H3.
What are the key properties of 4-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclohexan-1-amine?
4-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclohexan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 115213507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).