N-[(4-ethylphenyl)methyl]-3-methoxycyclohexan-1-amine

C16H25NO — CID 113286117

IUPACN-[(4-ethylphenyl)methyl]-3-methoxycyclohexan-1-amine
SMILESCCc1ccc(CNC2CCCC(OC)C2)cc1
InChIInChI=1S/C16H25NO/c1-3-13-7-9-14(10-8-13)12-17-15-5-4-6-16(11-15)18-2/h7-10,15-17H,3-6,11-12H2,1-2H3
InChIKeyHAKSDJMAHDWBLX-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.30
Rot. Bonds5

About N-[(4-ethylphenyl)methyl]-3-methoxycyclohexan-1-amine

N-[(4-ethylphenyl)methyl]-3-methoxycyclohexan-1-amine (PubChem CID 113286117) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-3-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-3-methoxycyclohexan-1-amine
PubChem CID113286117
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(4-ethylphenyl)methyl]-3-methoxycyclohexan-1-amine
SMILESCCc1ccc(CNC2CCCC(OC)C2)cc1
InChIInChI=1S/C16H25NO/c1-3-13-7-9-14(10-8-13)12-17-15-5-4-6-16(11-15)18-2/h7-10,15-17H,3-6,11-12H2,1-2H3
InChIKeyHAKSDJMAHDWBLX-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317393
1-N-[(4-ethylphenyl)methyl]cyclohexane-1,3-diamine
CID 106899393
N-[(4-ethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103675931
N-[(4-tert-butylphenyl)methyl]-3-methoxycyclopentan-1-amine
CID 103081446
3-(4-ethylphenoxy)-N-propylcyclohexan-1-amine
CID 79617884
3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 113429867
3-methoxy-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine
CID 106894953
3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 115320188
N-[(4-cyclopentyloxyphenyl)methyl]cyclopentanamine
CID 39360486
4-[[(4-methoxycyclohexyl)amino]methyl]phenol
CID 104530017
N-[[4-(2-aminoethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine
CID 114119863
1-ethyl-N-[(4-ethylphenyl)methyl]azepan-4-amine
CID 106899503

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-3-methoxycyclohexan-1-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-3-methoxycyclohexan-1-amine (CID 113286117) is N-[(4-ethylphenyl)methyl]-3-methoxycyclohexan-1-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-3-methoxycyclohexan-1-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-3-methoxycyclohexan-1-amine is CCc1ccc(CNC2CCCC(OC)C2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-3-methoxycyclohexan-1-amine?
The InChIKey is HAKSDJMAHDWBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-13-7-9-14(10-8-13)12-17-15-5-4-6-16(11-15)18-2/h7-10,15-17H,3-6,11-12H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-3-methoxycyclohexan-1-amine?
N-[(4-ethylphenyl)methyl]-3-methoxycyclohexan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-3-methoxycyclohexan-1-amine is sourced from PubChem (CID 113286117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).