2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3,3-difluorocyclohexyl)propan-1-ol

C14H25F2NO — CID 114225187

IUPAC2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3,3-difluorocyclohexyl)propan-1-ol
SMILESNCC(CO)(CC1CC1)CC1CCCC(F)(F)C1
InChIInChI=1S/C14H25F2NO/c15-14(16)5-1-2-12(8-14)7-13(9-17,10-18)6-11-3-4-11/h11-12,18H,1-10,17H2
InChIKeyIAXOFOXWRUFLQL-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.94
Rot. Bonds6

About 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3,3-difluorocyclohexyl)propan-1-ol

2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3,3-difluorocyclohexyl)propan-1-ol (PubChem CID 114225187) has the molecular formula C14H25F2NO and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3,3-difluorocyclohexyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3,3-difluorocyclohexyl)propan-1-ol
PubChem CID114225187
Molecular FormulaC14H25F2NO
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3,3-difluorocyclohexyl)propan-1-ol
SMILESNCC(CO)(CC1CC1)CC1CCCC(F)(F)C1
InChIInChI=1S/C14H25F2NO/c15-14(16)5-1-2-12(8-14)7-13(9-17,10-18)6-11-3-4-11/h11-12,18H,1-10,17H2
InChIKeyIAXOFOXWRUFLQL-UHFFFAOYSA-N
XLogP2.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3,3-difluorocyclohexyl)propan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3,3-difluorocyclohexyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3,3-difluorocyclohexyl)propan-1-ol (CID 114225187) is 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3,3-difluorocyclohexyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3,3-difluorocyclohexyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3,3-difluorocyclohexyl)propan-1-ol is NCC(CO)(CC1CC1)CC1CCCC(F)(F)C1.
What is the InChIKey of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3,3-difluorocyclohexyl)propan-1-ol?
The InChIKey is IAXOFOXWRUFLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO/c15-14(16)5-1-2-12(8-14)7-13(9-17,10-18)6-11-3-4-11/h11-12,18H,1-10,17H2.
What are the key properties of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3,3-difluorocyclohexyl)propan-1-ol?
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3,3-difluorocyclohexyl)propan-1-ol has a molecular weight of 261.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3,3-difluorocyclohexyl)propan-1-ol is sourced from PubChem (CID 114225187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).