N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]ethanamine

C18H29NO — CID 81026728

IUPACN-[[2-(4-propoxyphenyl)cyclohexyl]methyl]ethanamine
SMILESCCCOc1ccc(C2CCCCC2CNCC)cc1
InChIInChI=1S/C18H29NO/c1-3-13-20-17-11-9-15(10-12-17)18-8-6-5-7-16(18)14-19-4-2/h9-12,16,18-19H,3-8,13-14H2,1-2H3
InChIKeyUUUQZIKOXNMJDU-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.36
Rot. Bonds7

About N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]ethanamine

N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]ethanamine (PubChem CID 81026728) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-propoxyphenyl)cyclohexyl]methyl]ethanamine
PubChem CID81026728
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[[2-(4-propoxyphenyl)cyclohexyl]methyl]ethanamine
SMILESCCCOc1ccc(C2CCCCC2CNCC)cc1
InChIInChI=1S/C18H29NO/c1-3-13-20-17-11-9-15(10-12-17)18-8-6-5-7-16(18)14-19-4-2/h9-12,16,18-19H,3-8,13-14H2,1-2H3
InChIKeyUUUQZIKOXNMJDU-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]propan-2-amine
CID 81028785
2-methyl-N-[[2-(4-propoxyphenyl)cyclobutyl]methyl]propan-1-amine
CID 81023460
N-methyl-2-(4-propoxyphenyl)cyclohexan-1-amine
CID 55120346
N-[[2-(4-methoxyphenyl)cyclobutyl]methyl]ethanamine
CID 81018235
N-[[2-(3,4-dimethoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81026742
N-[[2-[4-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine
CID 81028151
N-[[2-(4-ethoxyphenyl)-4,4-dimethylcyclohexyl]methyl]ethanamine
CID 81022966
N-[[2-(6-methyl-3-pyridinyl)cycloheptyl]methyl]ethanamine
CID 81025284
2-methoxy-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62713194
2-methyl-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]propan-1-amine
CID 55210303
N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81034354
N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]propan-2-amine
CID 81034049

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]ethanamine (CID 81026728) is N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]ethanamine is CCCOc1ccc(C2CCCCC2CNCC)cc1.
What is the InChIKey of N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]ethanamine?
The InChIKey is UUUQZIKOXNMJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-13-20-17-11-9-15(10-12-17)18-8-6-5-7-16(18)14-19-4-2/h9-12,16,18-19H,3-8,13-14H2,1-2H3.
What are the key properties of N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]ethanamine?
N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81026728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).