2-[(naphthalen-2-ylmethylamino)methyl]butan-1-ol

C16H21NO — CID 115250860

IUPAC2-[(naphthalen-2-ylmethylamino)methyl]butan-1-ol
SMILESCCC(CO)CNCc1ccc2ccccc2c1
InChIInChI=1S/C16H21NO/c1-2-13(12-18)10-17-11-14-7-8-15-5-3-4-6-16(15)9-14/h3-9,13,17-18H,2,10-12H2,1H3
InChIKeyNKUZDAJEVRCDCZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.95
Rot. Bonds6

About 2-[(naphthalen-2-ylmethylamino)methyl]butan-1-ol

2-[(naphthalen-2-ylmethylamino)methyl]butan-1-ol (PubChem CID 115250860) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[(naphthalen-2-ylmethylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[(naphthalen-2-ylmethylamino)methyl]butan-1-ol
PubChem CID115250860
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-[(naphthalen-2-ylmethylamino)methyl]butan-1-ol
SMILESCCC(CO)CNCc1ccc2ccccc2c1
InChIInChI=1S/C16H21NO/c1-2-13(12-18)10-17-11-14-7-8-15-5-3-4-6-16(15)9-14/h3-9,13,17-18H,2,10-12H2,1H3
InChIKeyNKUZDAJEVRCDCZ-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(naphthalen-2-ylmethylamino)methyl]hexan-1-ol
CID 103707936
2-[[(3,4-dimethylphenyl)methylamino]methyl]butan-1-ol
CID 115250742
2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butan-1-ol
CID 115250760
2-[[(4-bromophenyl)methylamino]methyl]butan-1-ol
CID 115250747
2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol
CID 115250859
2-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]butan-1-ol
CID 115250761
2-amino-3-(naphthalen-2-ylmethylamino)propanoic acid
CID 115240733
N'-(naphthalen-2-ylmethyl)-N-[2-(naphthalen-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 11741534
N-[(2-ethylphenyl)methyl]-1-naphthalen-2-ylmethanamine
CID 64680706
N'-(naphthalen-2-ylmethyl)methanediamine
CID 115225812
(naphthalen-2-ylmethylamino)methanethiol
CID 115228012
3-methyl-N-(naphthalen-2-ylmethyl)pentan-2-amine
CID 54950144

Frequently Asked Questions

What is the IUPAC name of 2-[(naphthalen-2-ylmethylamino)methyl]butan-1-ol?
The IUPAC name of 2-[(naphthalen-2-ylmethylamino)methyl]butan-1-ol (CID 115250860) is 2-[(naphthalen-2-ylmethylamino)methyl]butan-1-ol.
What is the SMILES notation for 2-[(naphthalen-2-ylmethylamino)methyl]butan-1-ol?
The canonical SMILES for 2-[(naphthalen-2-ylmethylamino)methyl]butan-1-ol is CCC(CO)CNCc1ccc2ccccc2c1.
What is the InChIKey of 2-[(naphthalen-2-ylmethylamino)methyl]butan-1-ol?
The InChIKey is NKUZDAJEVRCDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-2-13(12-18)10-17-11-14-7-8-15-5-3-4-6-16(15)9-14/h3-9,13,17-18H,2,10-12H2,1H3.
What are the key properties of 2-[(naphthalen-2-ylmethylamino)methyl]butan-1-ol?
2-[(naphthalen-2-ylmethylamino)methyl]butan-1-ol has a molecular weight of 243.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(naphthalen-2-ylmethylamino)methyl]butan-1-ol is sourced from PubChem (CID 115250860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).