[3-[cyclopropylmethyl(propyl)amino]-5-fluorophenyl]methanol

C14H20FNO — CID 106529769

IUPAC[3-[cyclopropylmethyl(propyl)amino]-5-fluorophenyl]methanol
SMILESCCCN(CC1CC1)c1cc(F)cc(CO)c1
InChIInChI=1S/C14H20FNO/c1-2-5-16(9-11-3-4-11)14-7-12(10-17)6-13(15)8-14/h6-8,11,17H,2-5,9-10H2,1H3
InChIKeyFKZQPHKQSYTCFO-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.94
Rot. Bonds6

About [3-[cyclopropylmethyl(propyl)amino]-5-fluorophenyl]methanol

[3-[cyclopropylmethyl(propyl)amino]-5-fluorophenyl]methanol (PubChem CID 106529769) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is [3-[cyclopropylmethyl(propyl)amino]-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[3-[cyclopropylmethyl(propyl)amino]-5-fluorophenyl]methanol
PubChem CID106529769
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name[3-[cyclopropylmethyl(propyl)amino]-5-fluorophenyl]methanol
SMILESCCCN(CC1CC1)c1cc(F)cc(CO)c1
InChIInChI=1S/C14H20FNO/c1-2-5-16(9-11-3-4-11)14-7-12(10-17)6-13(15)8-14/h6-8,11,17H,2-5,9-10H2,1H3
InChIKeyFKZQPHKQSYTCFO-UHFFFAOYSA-N
XLogP2.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-[cyclopropylmethyl(propyl)amino]-5-fluorophenyl]methanol 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-(cyclobutylmethyl)-N-ethyl-3-(ethylaminomethyl)-5-fluoroaniline
CID 107402449
[2-[cyclopropylmethyl(propyl)amino]-4-pyridinyl]methanol
CID 61445364
N-(cyclobutylmethyl)-N-ethyl-3-fluoro-5-(propylaminomethyl)aniline
CID 107402459
[3-[ethyl(prop-2-ynyl)amino]-5-fluorophenyl]methanol
CID 106529981
3-chloro-N-(cyclopropylmethyl)-N-propylaniline
CID 91053808
4-N-(cyclopropylmethyl)-2-methyl-4-N-propylbenzene-1,4-diamine
CID 43587994
N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylaniline
CID 61445151
4-[cyclopropylmethyl(propyl)amino]-2-methylbenzoic acid
CID 62134263
N-butyl-3-[(cyclopropylamino)methyl]-N-ethyl-5-fluoroaniline
CID 106532103
[3-[butan-2-yl(methyl)amino]-5-fluorophenyl]methanol
CID 106529697
4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline
CID 62945842
3-(ethylaminomethyl)-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 106532513

Frequently Asked Questions

What is the IUPAC name of [3-[cyclopropylmethyl(propyl)amino]-5-fluorophenyl]methanol?
The IUPAC name of [3-[cyclopropylmethyl(propyl)amino]-5-fluorophenyl]methanol (CID 106529769) is [3-[cyclopropylmethyl(propyl)amino]-5-fluorophenyl]methanol.
What is the SMILES notation for [3-[cyclopropylmethyl(propyl)amino]-5-fluorophenyl]methanol?
The canonical SMILES for [3-[cyclopropylmethyl(propyl)amino]-5-fluorophenyl]methanol is CCCN(CC1CC1)c1cc(F)cc(CO)c1.
What is the InChIKey of [3-[cyclopropylmethyl(propyl)amino]-5-fluorophenyl]methanol?
The InChIKey is FKZQPHKQSYTCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-2-5-16(9-11-3-4-11)14-7-12(10-17)6-13(15)8-14/h6-8,11,17H,2-5,9-10H2,1H3.
What are the key properties of [3-[cyclopropylmethyl(propyl)amino]-5-fluorophenyl]methanol?
[3-[cyclopropylmethyl(propyl)amino]-5-fluorophenyl]methanol has a molecular weight of 237.32 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[cyclopropylmethyl(propyl)amino]-5-fluorophenyl]methanol is sourced from PubChem (CID 106529769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).