(4-ethoxyphenyl)-(4-propylcyclohexyl)methanamine

C18H29NO — CID 65422984

IUPAC(4-ethoxyphenyl)-(4-propylcyclohexyl)methanamine
SMILESCCCC1CCC(C(N)c2ccc(OCC)cc2)CC1
InChIInChI=1S/C18H29NO/c1-3-5-14-6-8-15(9-7-14)18(19)16-10-12-17(13-11-16)20-4-2/h10-15,18H,3-9,19H2,1-2H3
InChIKeyRVELLUYSLKNCIV-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.69
Rot. Bonds6

About (4-ethoxyphenyl)-(4-propylcyclohexyl)methanamine

(4-ethoxyphenyl)-(4-propylcyclohexyl)methanamine (PubChem CID 65422984) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(4-propylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(4-propylcyclohexyl)methanamine
PubChem CID65422984
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(4-ethoxyphenyl)-(4-propylcyclohexyl)methanamine
SMILESCCCC1CCC(C(N)c2ccc(OCC)cc2)CC1
InChIInChI=1S/C18H29NO/c1-3-5-14-6-8-15(9-7-14)18(19)16-10-12-17(13-11-16)20-4-2/h10-15,18H,3-9,19H2,1-2H3
InChIKeyRVELLUYSLKNCIV-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-cyclopropyloxyphenyl)-(4-propylcyclohexyl)methanamine
CID 114519515
4-[amino-(4-ethoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937243
1-ethoxy-4-[hydroperoxy-(4-propylcyclohexyl)methyl]benzene
CID 58132107
(4-ethylcyclohexyl)-(4-propoxyphenyl)methanamine
CID 65393938
(6-methyl-3-pyridinyl)-(4-propylcyclohexyl)methanamine
CID 65424529
(4-ethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 65415745
2-cyclopropyl-1-(4-ethoxyphenyl)propan-1-amine
CID 83153985
(4-ethoxyphenyl)-piperidin-3-ylmethanamine
CID 116935799
(2-chlorophenyl)-(4-propylcyclohexyl)methanamine
CID 65422989
(4-butylcyclohexyl)-(6-methyl-3-pyridinyl)methanamine
CID 115854740
(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine
CID 171230786
(R)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine
CID 171211184

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(4-propylcyclohexyl)methanamine?
The IUPAC name of (4-ethoxyphenyl)-(4-propylcyclohexyl)methanamine (CID 65422984) is (4-ethoxyphenyl)-(4-propylcyclohexyl)methanamine.
What is the SMILES notation for (4-ethoxyphenyl)-(4-propylcyclohexyl)methanamine?
The canonical SMILES for (4-ethoxyphenyl)-(4-propylcyclohexyl)methanamine is CCCC1CCC(C(N)c2ccc(OCC)cc2)CC1.
What is the InChIKey of (4-ethoxyphenyl)-(4-propylcyclohexyl)methanamine?
The InChIKey is RVELLUYSLKNCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-5-14-6-8-15(9-7-14)18(19)16-10-12-17(13-11-16)20-4-2/h10-15,18H,3-9,19H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-(4-propylcyclohexyl)methanamine?
(4-ethoxyphenyl)-(4-propylcyclohexyl)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-ethoxyphenyl)-(4-propylcyclohexyl)methanamine is sourced from PubChem (CID 65422984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).