N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine

C19H31NO — CID 63453718

IUPACN-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
SMILESCCCCOc1ccc(CNC2CCC(CC)CC2)cc1
InChIInChI=1S/C19H31NO/c1-3-5-14-21-19-12-8-17(9-13-19)15-20-18-10-6-16(4-2)7-11-18/h8-9,12-13,16,18,20H,3-7,10-11,14-15H2,1-2H3
InChIKeyKMLJKXQZLFXZBS-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.92
Rot. Bonds8

About N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine

N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine (PubChem CID 63453718) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
PubChem CID63453718
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
SMILESCCCCOc1ccc(CNC2CCC(CC)CC2)cc1
InChIInChI=1S/C19H31NO/c1-3-5-14-21-19-12-8-17(9-13-19)15-20-18-10-6-16(4-2)7-11-18/h8-9,12-13,16,18,20H,3-7,10-11,14-15H2,1-2H3
InChIKeyKMLJKXQZLFXZBS-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-octoxyphenyl)methyl]cyclopropanamine
CID 43213779
4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 782105
2-[4-[[(4-ethylcyclohexyl)amino]methyl]phenoxy]acetamide
CID 60958128
N-[(4-butoxyphenyl)methyl]-1-methylpyrrolidin-3-amine
CID 61462393
4-ethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43078853
N-[[4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]cyclopropanamine
CID 62417571
N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 106205858
N-[(4-butoxyphenyl)methyl]-3,3-difluorocyclobutan-1-amine
CID 167311863
N-[(4-butoxyphenyl)methyl]oxan-3-amine
CID 63360097
N-[[4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 62441857
N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61025702
N-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine
CID 65082609

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine?
The IUPAC name of N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine (CID 63453718) is N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine?
The canonical SMILES for N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine is CCCCOc1ccc(CNC2CCC(CC)CC2)cc1.
What is the InChIKey of N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine?
The InChIKey is KMLJKXQZLFXZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-5-14-21-19-12-8-17(9-13-19)15-20-18-10-6-16(4-2)7-11-18/h8-9,12-13,16,18,20H,3-7,10-11,14-15H2,1-2H3.
What are the key properties of N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine?
N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 63453718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).