4-[[4-(4-methoxyphenyl)phenoxy]methyl]-N-propylcyclohexan-1-amine

C23H31NO2 — CID 130450362

IUPAC4-[[4-(4-methoxyphenyl)phenoxy]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(COc2ccc(-c3ccc(OC)cc3)cc2)CC1
InChIInChI=1S/C23H31NO2/c1-3-16-24-21-10-4-18(5-11-21)17-26-23-14-8-20(9-15-23)19-6-12-22(25-2)13-7-19/h6-9,12-15,18,21,24H,3-5,10-11,16-17H2,1-2H3
InChIKeyXEPZLLHEVVFCMC-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.30
Rot. Bonds8

About 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-N-propylcyclohexan-1-amine

4-[[4-(4-methoxyphenyl)phenoxy]methyl]-N-propylcyclohexan-1-amine (PubChem CID 130450362) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[[4-(4-methoxyphenyl)phenoxy]methyl]-N-propylcyclohexan-1-amine
PubChem CID130450362
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name4-[[4-(4-methoxyphenyl)phenoxy]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(COc2ccc(-c3ccc(OC)cc3)cc2)CC1
InChIInChI=1S/C23H31NO2/c1-3-16-24-21-10-4-18(5-11-21)17-26-23-14-8-20(9-15-23)19-6-12-22(25-2)13-7-19/h6-9,12-15,18,21,24H,3-5,10-11,16-17H2,1-2H3
InChIKeyXEPZLLHEVVFCMC-UHFFFAOYSA-N
XLogP5.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-methoxybenzene
CID 141151529
3-[2-(4-methoxyphenyl)ethyl]-N-propylcyclohexan-1-amine
CID 65441665
4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
CID 23724366
4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 782105
2-(4-methoxyphenyl)-5-[(4-propylcyclohexyl)methoxy]pyrazine
CID 70499663
N-[1-[2-(cyclopropylmethoxy)-4-methoxyphenyl]ethyl]propan-1-amine
CID 82000646
N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61025702
N-[2-(4-methoxyphenyl)sulfanylethyl]cyclopropanamine
CID 61385788
4-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 60810220
1-(3,5-dimethoxyphenyl)-N-propylpiperidin-4-amine
CID 43315050
4-[4-(cyclopropylmethoxy)phenyl]benzaldehyde
CID 131887316
1-butyl-4-(cyclopropylmethoxy)benzene
CID 70329581

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-N-propylcyclohexan-1-amine (CID 130450362) is 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-N-propylcyclohexan-1-amine is CCCNC1CCC(COc2ccc(-c3ccc(OC)cc3)cc2)CC1.
What is the InChIKey of 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-N-propylcyclohexan-1-amine?
The InChIKey is XEPZLLHEVVFCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-3-16-24-21-10-4-18(5-11-21)17-26-23-14-8-20(9-15-23)19-6-12-22(25-2)13-7-19/h6-9,12-15,18,21,24H,3-5,10-11,16-17H2,1-2H3.
What are the key properties of 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-N-propylcyclohexan-1-amine?
4-[[4-(4-methoxyphenyl)phenoxy]methyl]-N-propylcyclohexan-1-amine has a molecular weight of 353.51 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methoxyphenyl)phenoxy]methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 130450362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).