(1S)-1-(3-methylphenyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine

C18H27NO — CID 102897573

IUPAC(1S)-1-(3-methylphenyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
SMILESCc1cccc([C@H](C)NCC2CCC3(CCCC3)O2)c1
InChIInChI=1S/C18H27NO/c1-14-6-5-7-16(12-14)15(2)19-13-17-8-11-18(20-17)9-3-4-10-18/h5-7,12,15,17,19H,3-4,8-11,13H2,1-2H3/t15-,17?/m0/s1
InChIKeyCVXOUFWOTKRGOT-MYJWUSKBSA-N
MW273.42 g/mol
LogP4.14
Rot. Bonds4

About (1S)-1-(3-methylphenyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine

(1S)-1-(3-methylphenyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine (PubChem CID 102897573) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is (1S)-1-(3-methylphenyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-methylphenyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
PubChem CID102897573
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name(1S)-1-(3-methylphenyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
SMILESCc1cccc([C@H](C)NCC2CCC3(CCCC3)O2)c1
InChIInChI=1S/C18H27NO/c1-14-6-5-7-16(12-14)15(2)19-13-17-8-11-18(20-17)9-3-4-10-18/h5-7,12,15,17,19H,3-4,8-11,13H2,1-2H3/t15-,17?/m0/s1
InChIKeyCVXOUFWOTKRGOT-MYJWUSKBSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-(3-methylphenyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 102848150
(1S)-N-(cyclopentylmethyl)-1-(3-methylphenyl)ethanamine
CID 81364259
(1R)-N-(cycloheptylmethyl)-1-(3-methylphenyl)ethanamine
CID 81363930
2-(3-methylphenyl)-3-(1-oxaspiro[4.4]nonan-2-yl)propanoic acid
CID 102899325
(1S)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-pyridin-2-ylethanamine
CID 102897622
N-[(4-ethylcyclohexyl)methyl]-1-(3-methylphenyl)ethanamine
CID 55191785
N-methyl-1-[3-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine
CID 102896328
1-(3-methylphenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107295474
(1R)-N-(cyclohex-3-en-1-ylmethyl)-1-(3-methylphenyl)ethanamine
CID 81363043
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 102897054
1-(3-methylphenyl)-3-(1-oxaspiro[4.5]decan-2-yl)propan-2-amine
CID 102901771
4-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-2-amine
CID 102896817

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-methylphenyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(3-methylphenyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine (CID 102897573) is (1S)-1-(3-methylphenyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(3-methylphenyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(3-methylphenyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine is Cc1cccc([C@H](C)NCC2CCC3(CCCC3)O2)c1.
What is the InChIKey of (1S)-1-(3-methylphenyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
The InChIKey is CVXOUFWOTKRGOT-MYJWUSKBSA-N. The full InChI is InChI=1S/C18H27NO/c1-14-6-5-7-16(12-14)15(2)19-13-17-8-11-18(20-17)9-3-4-10-18/h5-7,12,15,17,19H,3-4,8-11,13H2,1-2H3/t15-,17?/m0/s1.
What are the key properties of (1S)-1-(3-methylphenyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
(1S)-1-(3-methylphenyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine has a molecular weight of 273.42 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-methylphenyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine is sourced from PubChem (CID 102897573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).