(2S)-2-[(2-cyclopropylphenyl)methylamino]butan-1-ol

C14H21NO — CID 104980617

IUPAC(2S)-2-[(2-cyclopropylphenyl)methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1ccccc1C1CC1
InChIInChI=1S/C14H21NO/c1-2-13(10-16)15-9-12-5-3-4-6-14(12)11-7-8-11/h3-6,11,13,15-16H,2,7-10H2,1H3/t13-/m0/s1
InChIKeyYRVOUJPLTQVEID-ZDUSSCGKSA-N
MW219.33 g/mol
LogP2.42
Rot. Bonds6

About (2S)-2-[(2-cyclopropylphenyl)methylamino]butan-1-ol

(2S)-2-[(2-cyclopropylphenyl)methylamino]butan-1-ol (PubChem CID 104980617) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (2S)-2-[(2-cyclopropylphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2-cyclopropylphenyl)methylamino]butan-1-ol
PubChem CID104980617
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(2S)-2-[(2-cyclopropylphenyl)methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1ccccc1C1CC1
InChIInChI=1S/C14H21NO/c1-2-13(10-16)15-9-12-5-3-4-6-14(12)11-7-8-11/h3-6,11,13,15-16H,2,7-10H2,1H3/t13-/m0/s1
InChIKeyYRVOUJPLTQVEID-ZDUSSCGKSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-cyclopropylphenyl)methyl]-1-methylsulfanylbutan-2-amine
CID 115899991
2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol
CID 15278079
N-[(2-cyclopropylphenyl)methyl]octan-4-amine
CID 106023493
(2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol
CID 918808
N-[(2-cyclopropylphenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115682727
N-[(2-cyclopropylphenyl)methyl]but-3-yn-2-amine
CID 114415138
N-[(2-cyclopropylphenyl)methyl]-1-ethoxypropan-2-amine
CID 79889217
2-[(2-ethylphenyl)methylamino]propane-1,3-diol
CID 65315433
N-[(2-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 79889045
(2S)-2-[(2,3-dichlorophenyl)methylamino]butan-1-ol
CID 40726436
(2R)-2-[(2,3-difluorophenyl)methylamino]butan-1-ol
CID 93043909
2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol chloride
CID 53351262

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-cyclopropylphenyl)methylamino]butan-1-ol?
The IUPAC name of (2S)-2-[(2-cyclopropylphenyl)methylamino]butan-1-ol (CID 104980617) is (2S)-2-[(2-cyclopropylphenyl)methylamino]butan-1-ol.
What is the SMILES notation for (2S)-2-[(2-cyclopropylphenyl)methylamino]butan-1-ol?
The canonical SMILES for (2S)-2-[(2-cyclopropylphenyl)methylamino]butan-1-ol is CC[C@@H](CO)NCc1ccccc1C1CC1.
What is the InChIKey of (2S)-2-[(2-cyclopropylphenyl)methylamino]butan-1-ol?
The InChIKey is YRVOUJPLTQVEID-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-13(10-16)15-9-12-5-3-4-6-14(12)11-7-8-11/h3-6,11,13,15-16H,2,7-10H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-2-[(2-cyclopropylphenyl)methylamino]butan-1-ol?
(2S)-2-[(2-cyclopropylphenyl)methylamino]butan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-cyclopropylphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 104980617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).