(1S)-1-[2-[cyclopropyl(ethyl)amino]phenyl]propan-1-ol

C14H21NO — CID 103959730

IUPAC(1S)-1-[2-[cyclopropyl(ethyl)amino]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N(CC)C1CC1
InChIInChI=1S/C14H21NO/c1-3-14(16)12-7-5-6-8-13(12)15(4-2)11-9-10-11/h5-8,11,14,16H,3-4,9-10H2,1-2H3/t14-/m0/s1
InChIKeyNUEPCZJXJSYZJA-AWEZNQCLSA-N
MW219.33 g/mol
LogP3.12
Rot. Bonds5

About (1S)-1-[2-[cyclopropyl(ethyl)amino]phenyl]propan-1-ol

(1S)-1-[2-[cyclopropyl(ethyl)amino]phenyl]propan-1-ol (PubChem CID 103959730) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (1S)-1-[2-[cyclopropyl(ethyl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-[cyclopropyl(ethyl)amino]phenyl]propan-1-ol
PubChem CID103959730
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(1S)-1-[2-[cyclopropyl(ethyl)amino]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N(CC)C1CC1
InChIInChI=1S/C14H21NO/c1-3-14(16)12-7-5-6-8-13(12)15(4-2)11-9-10-11/h5-8,11,14,16H,3-4,9-10H2,1-2H3/t14-/m0/s1
InChIKeyNUEPCZJXJSYZJA-AWEZNQCLSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[N-cyclopropyl-2-[(1R)-1-hydroxypropyl]anilino]propanenitrile
CID 113358991
1-[2-[cyclobutyl(3-hydroxypropyl)amino]phenyl]propan-1-ol
CID 102864135
(1S)-1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]propan-1-ol
CID 103959893
2-[(1R)-1-aminopropyl]-N-cyclopentyl-N-ethylaniline
CID 103958535
(1R)-1-[2-[(4-ethylcyclohexyl)-methylamino]phenyl]propan-1-ol
CID 103959896
N-cyclopropyl-N-ethyl-2-[1-(propylamino)propyl]aniline
CID 112677823
N-cyclopropyl-N-ethyl-2-methylaniline
CID 123141006
(1S)-1-[2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]propan-1-ol
CID 103960276
1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678841
(1S)-1-[2-[methyl-(3-methylcyclohexyl)amino]phenyl]propan-1-ol
CID 103959887
1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol
CID 112678795
2-[N-cyclopropyl-2-[1-(methylamino)propyl]anilino]ethanol
CID 112678034

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[cyclopropyl(ethyl)amino]phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-[cyclopropyl(ethyl)amino]phenyl]propan-1-ol (CID 103959730) is (1S)-1-[2-[cyclopropyl(ethyl)amino]phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-[cyclopropyl(ethyl)amino]phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-[cyclopropyl(ethyl)amino]phenyl]propan-1-ol is CC[C@H](O)c1ccccc1N(CC)C1CC1.
What is the InChIKey of (1S)-1-[2-[cyclopropyl(ethyl)amino]phenyl]propan-1-ol?
The InChIKey is NUEPCZJXJSYZJA-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-14(16)12-7-5-6-8-13(12)15(4-2)11-9-10-11/h5-8,11,14,16H,3-4,9-10H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-1-[2-[cyclopropyl(ethyl)amino]phenyl]propan-1-ol?
(1S)-1-[2-[cyclopropyl(ethyl)amino]phenyl]propan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[cyclopropyl(ethyl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 103959730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).