1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol

C14H21NO — CID 112678841

IUPAC1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1N(C)CC1CC1
InChIInChI=1S/C14H21NO/c1-3-14(16)12-6-4-5-7-13(12)15(2)10-11-8-9-11/h4-7,11,14,16H,3,8-10H2,1-2H3
InChIKeyPTZWREOWSNXBOY-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.98
Rot. Bonds5

About 1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol

1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol (PubChem CID 112678841) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol
PubChem CID112678841
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1N(C)CC1CC1
InChIInChI=1S/C14H21NO/c1-3-14(16)12-6-4-5-7-13(12)15(2)10-11-8-9-11/h4-7,11,14,16H,3,8-10H2,1-2H3
InChIKeyPTZWREOWSNXBOY-UHFFFAOYSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678870
1-[2-[methyl(oxan-3-ylmethyl)amino]phenyl]propan-1-ol
CID 112678972
(1S)-1-[2-[cyclopentylmethyl(methyl)amino]phenyl]ethanol
CID 55247704
(1S)-1-[2-[cyclohexylmethyl(methyl)amino]phenyl]ethanol
CID 78940236
(1R)-1-[2-[(4-ethylcyclohexyl)-methylamino]phenyl]propan-1-ol
CID 103959896
(1S)-1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]phenyl]propan-1-ol
CID 103960164
N-(cyclopropylmethyl)-N-methyl-2-[1-(propylamino)propyl]aniline
CID 112677945
2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline
CID 103958669
2-(1-aminopropyl)-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 112678152
2-[(1S)-1-aminopropyl]-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 103958935
(1S)-1-[2-[cyclopropyl(ethyl)amino]phenyl]propan-1-ol
CID 103959730
(1S)-1-[2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]propan-1-ol
CID 103960276

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol?
The IUPAC name of 1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol (CID 112678841) is 1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol.
What is the SMILES notation for 1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol?
The canonical SMILES for 1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol is CCC(O)c1ccccc1N(C)CC1CC1.
What is the InChIKey of 1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol?
The InChIKey is PTZWREOWSNXBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-14(16)12-6-4-5-7-13(12)15(2)10-11-8-9-11/h4-7,11,14,16H,3,8-10H2,1-2H3.
What are the key properties of 1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol?
1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 112678841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).