1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-phenylcyclohexan-1-amine

C18H30N2O — CID 61448495

IUPAC1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-phenylcyclohexan-1-amine
SMILESCCN(CCOC)C1(CN)CCC(c2ccccc2)CC1
InChIInChI=1S/C18H30N2O/c1-3-20(13-14-21-2)18(15-19)11-9-17(10-12-18)16-7-5-4-6-8-16/h4-8,17H,3,9-15,19H2,1-2H3
InChIKeyFMCMSHFCRKWQCY-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.01
Rot. Bonds7

About 1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-phenylcyclohexan-1-amine

1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-phenylcyclohexan-1-amine (PubChem CID 61448495) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-phenylcyclohexan-1-amine
PubChem CID61448495
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-phenylcyclohexan-1-amine
SMILESCCN(CCOC)C1(CN)CCC(c2ccccc2)CC1
InChIInChI=1S/C18H30N2O/c1-3-20(13-14-21-2)18(15-19)11-9-17(10-12-18)16-7-5-4-6-8-16/h4-8,17H,3,9-15,19H2,1-2H3
InChIKeyFMCMSHFCRKWQCY-UHFFFAOYSA-N
XLogP3.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-phenylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-phenylcyclohexan-1-amine (CID 61448495) is 1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-phenylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-phenylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-phenylcyclohexan-1-amine is CCN(CCOC)C1(CN)CCC(c2ccccc2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-phenylcyclohexan-1-amine?
The InChIKey is FMCMSHFCRKWQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-20(13-14-21-2)18(15-19)11-9-17(10-12-18)16-7-5-4-6-8-16/h4-8,17H,3,9-15,19H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-phenylcyclohexan-1-amine?
1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-phenylcyclohexan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 61448495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).