[1-(aminomethyl)-3-ethylcyclopentyl]-(3-cyclopropylphenyl)methanol

C18H27NO — CID 79977381

IUPAC[1-(aminomethyl)-3-ethylcyclopentyl]-(3-cyclopropylphenyl)methanol
SMILESCCC1CCC(CN)(C(O)c2cccc(C3CC3)c2)C1
InChIInChI=1S/C18H27NO/c1-2-13-8-9-18(11-13,12-19)17(20)16-5-3-4-15(10-16)14-6-7-14/h3-5,10,13-14,17,20H,2,6-9,11-12,19H2,1H3
InChIKeyCDJRLFAGNZFZGM-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.75
Rot. Bonds5

About [1-(aminomethyl)-3-ethylcyclopentyl]-(3-cyclopropylphenyl)methanol

[1-(aminomethyl)-3-ethylcyclopentyl]-(3-cyclopropylphenyl)methanol (PubChem CID 79977381) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is [1-(aminomethyl)-3-ethylcyclopentyl]-(3-cyclopropylphenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-ethylcyclopentyl]-(3-cyclopropylphenyl)methanol
PubChem CID79977381
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name[1-(aminomethyl)-3-ethylcyclopentyl]-(3-cyclopropylphenyl)methanol
SMILESCCC1CCC(CN)(C(O)c2cccc(C3CC3)c2)C1
InChIInChI=1S/C18H27NO/c1-2-13-8-9-18(11-13,12-19)17(20)16-5-3-4-15(10-16)14-6-7-14/h3-5,10,13-14,17,20H,2,6-9,11-12,19H2,1H3
InChIKeyCDJRLFAGNZFZGM-UHFFFAOYSA-N
XLogP3.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)cyclopentyl]-(3-cyclopropylphenyl)methanol
CID 79976714
[1-(aminomethyl)-3-ethylcyclohexyl]-[3-(difluoromethyl)phenyl]methanol
CID 115530085
[1-(aminomethyl)-3-ethylcyclopentyl]-(2,6-dichlorophenyl)methanol
CID 79135807
[1-(aminomethyl)-3-ethylcyclopentyl]-(3-bromo-4-chlorophenyl)methanol
CID 83241847
[1-(aminomethyl)-3-ethylcyclopentyl]-(4-chloro-3-fluorophenyl)methanol
CID 79137517
[1-(aminomethyl)-3-ethylcyclohexyl]-phenylmethanol
CID 79135617
[1-(aminomethyl)-3-ethylcyclopentyl]-(3,5-dichlorophenyl)methanol
CID 79138188
[1-(aminomethyl)-3-ethylcyclopentyl]-(3-chloro-4-fluorophenyl)methanol
CID 81157099
[1-(aminomethyl)-3-ethylcyclopentyl]-(2-ethylphenyl)methanol
CID 79138474
[1-(aminomethyl)-4-ethylcyclohexyl]-(2,6-dichlorophenyl)methanol
CID 79134806
[1-(aminomethyl)-3-ethylcyclopentyl]-(2,3-dimethoxyphenyl)methanol
CID 79123387
[1-(aminomethyl)-3-ethylcyclohexyl]-pyridin-3-ylmethanol
CID 79135100

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-ethylcyclopentyl]-(3-cyclopropylphenyl)methanol?
The IUPAC name of [1-(aminomethyl)-3-ethylcyclopentyl]-(3-cyclopropylphenyl)methanol (CID 79977381) is [1-(aminomethyl)-3-ethylcyclopentyl]-(3-cyclopropylphenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3-ethylcyclopentyl]-(3-cyclopropylphenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-3-ethylcyclopentyl]-(3-cyclopropylphenyl)methanol is CCC1CCC(CN)(C(O)c2cccc(C3CC3)c2)C1.
What is the InChIKey of [1-(aminomethyl)-3-ethylcyclopentyl]-(3-cyclopropylphenyl)methanol?
The InChIKey is CDJRLFAGNZFZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-13-8-9-18(11-13,12-19)17(20)16-5-3-4-15(10-16)14-6-7-14/h3-5,10,13-14,17,20H,2,6-9,11-12,19H2,1H3.
What are the key properties of [1-(aminomethyl)-3-ethylcyclopentyl]-(3-cyclopropylphenyl)methanol?
[1-(aminomethyl)-3-ethylcyclopentyl]-(3-cyclopropylphenyl)methanol has a molecular weight of 273.42 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-ethylcyclopentyl]-(3-cyclopropylphenyl)methanol is sourced from PubChem (CID 79977381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).