(4-ethylcyclohexyl)-(4-propoxyphenyl)methanamine

C18H29NO — CID 65393938

IUPAC(4-ethylcyclohexyl)-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(N)C2CCC(CC)CC2)cc1
InChIInChI=1S/C18H29NO/c1-3-13-20-17-11-9-16(10-12-17)18(19)15-7-5-14(4-2)6-8-15/h9-12,14-15,18H,3-8,13,19H2,1-2H3
InChIKeyPSYQGYNLSWURAB-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.69
Rot. Bonds6

About (4-ethylcyclohexyl)-(4-propoxyphenyl)methanamine

(4-ethylcyclohexyl)-(4-propoxyphenyl)methanamine (PubChem CID 65393938) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (4-ethylcyclohexyl)-(4-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-ethylcyclohexyl)-(4-propoxyphenyl)methanamine
PubChem CID65393938
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(4-ethylcyclohexyl)-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(N)C2CCC(CC)CC2)cc1
InChIInChI=1S/C18H29NO/c1-3-13-20-17-11-9-16(10-12-17)18(19)15-7-5-14(4-2)6-8-15/h9-12,14-15,18H,3-8,13,19H2,1-2H3
InChIKeyPSYQGYNLSWURAB-UHFFFAOYSA-N
XLogP4.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethoxyphenyl)-(4-propylcyclohexyl)methanamine
CID 65422984
2-cycloheptyl-1-(4-propoxyphenyl)ethanamine
CID 115853480
2-(cyclopropylmethoxy)-1-(4-propoxyphenyl)ethanamine
CID 43211713
(4-cyclopropyloxyphenyl)-(4-propylcyclohexyl)methanamine
CID 114519515
4-[amino-(4-ethoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937243
(4-ethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 65415745
3-amino-3-cyclopropyl-2-(4-propoxyphenoxy)propan-1-ol
CID 114358073
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine
CID 43533265
1-(4-butoxyphenyl)-2-cyclopentylethanamine
CID 105139075
3-cyclopropyl-1-(4-propoxyphenyl)propan-1-ol
CID 106590416
[2-cycloheptyl-1-(4-propoxyphenyl)ethyl]hydrazine
CID 105303625

Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl)-(4-propoxyphenyl)methanamine?
The IUPAC name of (4-ethylcyclohexyl)-(4-propoxyphenyl)methanamine (CID 65393938) is (4-ethylcyclohexyl)-(4-propoxyphenyl)methanamine.
What is the SMILES notation for (4-ethylcyclohexyl)-(4-propoxyphenyl)methanamine?
The canonical SMILES for (4-ethylcyclohexyl)-(4-propoxyphenyl)methanamine is CCCOc1ccc(C(N)C2CCC(CC)CC2)cc1.
What is the InChIKey of (4-ethylcyclohexyl)-(4-propoxyphenyl)methanamine?
The InChIKey is PSYQGYNLSWURAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-13-20-17-11-9-16(10-12-17)18(19)15-7-5-14(4-2)6-8-15/h9-12,14-15,18H,3-8,13,19H2,1-2H3.
What are the key properties of (4-ethylcyclohexyl)-(4-propoxyphenyl)methanamine?
(4-ethylcyclohexyl)-(4-propoxyphenyl)methanamine has a molecular weight of 275.44 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexyl)-(4-propoxyphenyl)methanamine is sourced from PubChem (CID 65393938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).