(2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol

C15H19NO — CID 918808

IUPAC(2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol
SMILESCC[C@H](CO)NCc1cccc2ccccc12
InChIInChI=1S/C15H19NO/c1-2-14(11-17)16-10-13-8-5-7-12-6-3-4-9-15(12)13/h3-9,14,16-17H,2,10-11H2,1H3/t14-/m1/s1
InChIKeyYVBGOMBRFIXNPF-CQSZACIVSA-N
MW229.32 g/mol
LogP2.70
Rot. Bonds5

About (2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol

(2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol (PubChem CID 918808) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name(2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol
PubChem CID918808
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol
SMILESCC[C@H](CO)NCc1cccc2ccccc12
InChIInChI=1S/C15H19NO/c1-2-14(11-17)16-10-13-8-5-7-12-6-3-4-9-15(12)13/h3-9,14,16-17H,2,10-11H2,1H3/t14-/m1/s1
InChIKeyYVBGOMBRFIXNPF-CQSZACIVSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol
CID 15278079
2-(naphthalen-1-ylmethylamino)propan-1-ol
CID 43499773
(2S)-2-[(2,3-dimethoxyphenyl)methylamino]butan-1-ol
CID 7061563
(2S)-2-[(2-methoxy-3-methylphenyl)methylamino]butan-1-ol
CID 97179065
2,6-dimethyl-N-(naphthalen-1-ylmethyl)heptan-4-amine
CID 63478165
(2R)-2-[(2,3-difluorophenyl)methylamino]butan-1-ol
CID 93043909
(2S)-2-[(2,3-dichlorophenyl)methylamino]butan-1-ol
CID 40726436
N-(naphthalen-1-ylmethyl)octan-4-amine
CID 106023258
2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol
CID 115250859
2-[(2-ethylphenyl)methylamino]propane-1,3-diol
CID 65315433
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]butan-1-ol
CID 4716006
(2S)-2-[(3-chloro-2-fluorophenyl)methylamino]butan-1-ol
CID 96910008

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol?
The IUPAC name of (2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol (CID 918808) is (2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol.
What is the SMILES notation for (2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol?
The canonical SMILES for (2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol is CC[C@H](CO)NCc1cccc2ccccc12.
What is the InChIKey of (2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol?
The InChIKey is YVBGOMBRFIXNPF-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-14(11-17)16-10-13-8-5-7-12-6-3-4-9-15(12)13/h3-9,14,16-17H,2,10-11H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol?
(2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol has a molecular weight of 229.32 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol is sourced from PubChem (CID 918808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).