3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol

C15H19NO — CID 28714573

IUPAC3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol
SMILESC[C@H](NCCCO)c1cccc2ccccc12
InChIInChI=1S/C15H19NO/c1-12(16-10-5-11-17)14-9-4-7-13-6-2-3-8-15(13)14/h2-4,6-9,12,16-17H,5,10-11H2,1H3/t12-/m0/s1
InChIKeyRMMSNRVCAADUTQ-LBPRGKRZSA-N
MW229.32 g/mol
LogP2.87
Rot. Bonds5

About 3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol

3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol (PubChem CID 28714573) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol
PubChem CID28714573
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol
SMILESC[C@H](NCCCO)c1cccc2ccccc12
InChIInChI=1S/C15H19NO/c1-12(16-10-5-11-17)14-9-4-7-13-6-2-3-8-15(13)14/h2-4,6-9,12,16-17H,5,10-11H2,1H3/t12-/m0/s1
InChIKeyRMMSNRVCAADUTQ-LBPRGKRZSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-(1-naphthalen-1-ylethylamino)pentan-1-ol
CID 103905431
3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine
CID 175208166
N'-methyl-N-(1-naphthalen-1-ylethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 103729405
N',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine
CID 43102399
N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride
CID 175678820
3-(2-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine
CID 54480749
N-(1-naphthalen-1-ylethyl)but-3-en-1-amine
CID 115899601
5-hydroxy-N-(1-naphthalen-1-ylethyl)pentanamide
CID 79199719
3-[3-(fluoromethyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine
CID 71020754
6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol
CID 107703523
3-methyl-1-(1-naphthalen-1-ylethylamino)butan-2-ol
CID 115677077
[5-[[(1S)-1-naphthalen-1-ylethyl]amino]-1-oxopentan-2-yl]carbamic acid
CID 87552764

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol?
The IUPAC name of 3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol (CID 28714573) is 3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol?
The canonical SMILES for 3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol is C[C@H](NCCCO)c1cccc2ccccc12.
What is the InChIKey of 3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol?
The InChIKey is RMMSNRVCAADUTQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19NO/c1-12(16-10-5-11-17)14-9-4-7-13-6-2-3-8-15(13)14/h2-4,6-9,12,16-17H,5,10-11H2,1H3/t12-/m0/s1.
What are the key properties of 3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol?
3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol has a molecular weight of 229.32 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol is sourced from PubChem (CID 28714573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).