2-[[cyclohexyl(phenyl)methyl]amino]-2-ethylpropane-1,3-diol

C18H29NO2 — CID 107864962

IUPAC2-[[cyclohexyl(phenyl)methyl]amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)NC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H29NO2/c1-2-18(13-20,14-21)19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3,5-6,9-10,16-17,19-21H,2,4,7-8,11-14H2,1H3
InChIKeyTZFKWMWUJNTVSD-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.03
Rot. Bonds7

About 2-[[cyclohexyl(phenyl)methyl]amino]-2-ethylpropane-1,3-diol

2-[[cyclohexyl(phenyl)methyl]amino]-2-ethylpropane-1,3-diol (PubChem CID 107864962) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 2-[[cyclohexyl(phenyl)methyl]amino]-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-[[cyclohexyl(phenyl)methyl]amino]-2-ethylpropane-1,3-diol
PubChem CID107864962
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name2-[[cyclohexyl(phenyl)methyl]amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)NC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H29NO2/c1-2-18(13-20,14-21)19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3,5-6,9-10,16-17,19-21H,2,4,7-8,11-14H2,1H3
InChIKeyTZFKWMWUJNTVSD-UHFFFAOYSA-N
XLogP3.03
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 103917609
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CID 43103715
5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol
CID 103920438
N-[cyclohexyl(phenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104759566
N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide
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2-[[cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 56785981
2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 95619544
N-[cyclohexyl(phenyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79107738
ethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate
CID 60811477
N-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine
CID 43110950
1-cyclohexyl-N-(2-methoxyethoxy)-1-phenylmethanamine
CID 82715212

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(phenyl)methyl]amino]-2-ethylpropane-1,3-diol?
The IUPAC name of 2-[[cyclohexyl(phenyl)methyl]amino]-2-ethylpropane-1,3-diol (CID 107864962) is 2-[[cyclohexyl(phenyl)methyl]amino]-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-[[cyclohexyl(phenyl)methyl]amino]-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-[[cyclohexyl(phenyl)methyl]amino]-2-ethylpropane-1,3-diol is CCC(CO)(CO)NC(c1ccccc1)C1CCCCC1.
What is the InChIKey of 2-[[cyclohexyl(phenyl)methyl]amino]-2-ethylpropane-1,3-diol?
The InChIKey is TZFKWMWUJNTVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-2-18(13-20,14-21)19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3,5-6,9-10,16-17,19-21H,2,4,7-8,11-14H2,1H3.
What are the key properties of 2-[[cyclohexyl(phenyl)methyl]amino]-2-ethylpropane-1,3-diol?
2-[[cyclohexyl(phenyl)methyl]amino]-2-ethylpropane-1,3-diol has a molecular weight of 291.43 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(phenyl)methyl]amino]-2-ethylpropane-1,3-diol is sourced from PubChem (CID 107864962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).