N-[(4-butoxy-3-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine

C19H31NO2 — CID 54848890

IUPACN-[(4-butoxy-3-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine
SMILESCCCCOc1ccc(CNC2CCCC(C)C2)cc1OC
InChIInChI=1S/C19H31NO2/c1-4-5-11-22-18-10-9-16(13-19(18)21-3)14-20-17-8-6-7-15(2)12-17/h9-10,13,15,17,20H,4-8,11-12,14H2,1-3H3
InChIKeyOKZCANNMGSJWHV-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.54
Rot. Bonds8

About N-[(4-butoxy-3-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine

N-[(4-butoxy-3-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine (PubChem CID 54848890) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is N-[(4-butoxy-3-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-butoxy-3-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine
PubChem CID54848890
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC NameN-[(4-butoxy-3-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine
SMILESCCCCOc1ccc(CNC2CCCC(C)C2)cc1OC
InChIInChI=1S/C19H31NO2/c1-4-5-11-22-18-10-9-16(13-19(18)21-3)14-20-17-8-6-7-15(2)12-17/h9-10,13,15,17,20H,4-8,11-12,14H2,1-3H3
InChIKeyOKZCANNMGSJWHV-UHFFFAOYSA-N
XLogP4.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.54
H-Bond Donors ≤ 51
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-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylcyclohexan-1-amine
CID 43317436
2-[2-methoxy-4-[[(4-methylcyclohexyl)amino]methyl]phenoxy]ethanol
CID 111466387
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
CID 2846430
N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646908
3-methyl-N-[(4-propoxyphenyl)methyl]cyclohexan-1-amine
CID 43317434
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 64741035
1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine
CID 79458725
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43244054
N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 61344979
1-[(4-butoxy-3-methoxyphenyl)methyl]-3-cyclohexylurea
CID 46762304
N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317393
N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]cyclopropanamine
CID 114524710

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxy-3-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[(4-butoxy-3-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine (CID 54848890) is N-[(4-butoxy-3-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-butoxy-3-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[(4-butoxy-3-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine is CCCCOc1ccc(CNC2CCCC(C)C2)cc1OC.
What is the InChIKey of N-[(4-butoxy-3-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine?
The InChIKey is OKZCANNMGSJWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-4-5-11-22-18-10-9-16(13-19(18)21-3)14-20-17-8-6-7-15(2)12-17/h9-10,13,15,17,20H,4-8,11-12,14H2,1-3H3.
What are the key properties of N-[(4-butoxy-3-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine?
N-[(4-butoxy-3-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine has a molecular weight of 305.46 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxy-3-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 54848890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).