2-methyl-1-(2-naphthalen-1-ylethylamino)propan-2-ol

C16H21NO — CID 115137096

IUPAC2-methyl-1-(2-naphthalen-1-ylethylamino)propan-2-ol
SMILESCC(C)(O)CNCCc1cccc2ccccc12
InChIInChI=1S/C16H21NO/c1-16(2,18)12-17-11-10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,17-18H,10-12H2,1-2H3
InChIKeyWRQPTCDHXFUNSX-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.74
Rot. Bonds5

About 2-methyl-1-(2-naphthalen-1-ylethylamino)propan-2-ol

2-methyl-1-(2-naphthalen-1-ylethylamino)propan-2-ol (PubChem CID 115137096) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-methyl-1-(2-naphthalen-1-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(2-naphthalen-1-ylethylamino)propan-2-ol
PubChem CID115137096
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-methyl-1-(2-naphthalen-1-ylethylamino)propan-2-ol
SMILESCC(C)(O)CNCCc1cccc2ccccc12
InChIInChI=1S/C16H21NO/c1-16(2,18)12-17-11-10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,17-18H,10-12H2,1-2H3
InChIKeyWRQPTCDHXFUNSX-UHFFFAOYSA-N
XLogP2.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.74
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-naphthalen-1-ylethylamino)methanol
CID 115229403
2-hydroxy-2-methyl-N-(2-naphthalen-1-ylethyl)propanamide
CID 115178963
N-(2-naphthalen-1-ylethyl)prop-2-yn-1-amine
CID 87606018
N-(2-hydroxy-2-methylpropyl)-2-naphthalen-1-ylacetamide
CID 65110602
N-(2-methoxyethyl)-2,2-dimethyl-4-naphthalen-1-ylbutan-1-amine
CID 65306366
2-methyl-1-(naphthalen-1-ylamino)propan-2-ol
CID 60884850
acetaldehyde;N-methyl-2-naphthalen-1-ylethanamine
CID 142942330
(2S)-2,4-dihydroxy-3,3-dimethyl-N-(2-naphthalen-1-ylethyl)butanamide
CID 125469777
3-[(2-naphthalen-1-ylethylamino)methyl]cyclobutan-1-amine
CID 115214333
1-N-(2-naphthalen-1-ylethyl)pentane-1,4-diamine
CID 115204071
3-(2-naphthalen-1-ylethylamino)propane-1-sulfonic acid
CID 87095275
2-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115140997

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-naphthalen-1-ylethylamino)propan-2-ol?
The IUPAC name of 2-methyl-1-(2-naphthalen-1-ylethylamino)propan-2-ol (CID 115137096) is 2-methyl-1-(2-naphthalen-1-ylethylamino)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(2-naphthalen-1-ylethylamino)propan-2-ol?
The canonical SMILES for 2-methyl-1-(2-naphthalen-1-ylethylamino)propan-2-ol is CC(C)(O)CNCCc1cccc2ccccc12.
What is the InChIKey of 2-methyl-1-(2-naphthalen-1-ylethylamino)propan-2-ol?
The InChIKey is WRQPTCDHXFUNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-16(2,18)12-17-11-10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,17-18H,10-12H2,1-2H3.
What are the key properties of 2-methyl-1-(2-naphthalen-1-ylethylamino)propan-2-ol?
2-methyl-1-(2-naphthalen-1-ylethylamino)propan-2-ol has a molecular weight of 243.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-naphthalen-1-ylethylamino)propan-2-ol is sourced from PubChem (CID 115137096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).