3-[(naphthalen-2-ylmethylamino)methyl]hexan-1-ol

C18H25NO — CID 103707936

IUPAC3-[(naphthalen-2-ylmethylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1ccc2ccccc2c1
InChIInChI=1S/C18H25NO/c1-2-5-15(10-11-20)13-19-14-16-8-9-17-6-3-4-7-18(17)12-16/h3-4,6-9,12,15,19-20H,2,5,10-11,13-14H2,1H3
InChIKeyMGIGFAUMXQVZGS-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.73
Rot. Bonds8

About 3-[(naphthalen-2-ylmethylamino)methyl]hexan-1-ol

3-[(naphthalen-2-ylmethylamino)methyl]hexan-1-ol (PubChem CID 103707936) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 3-[(naphthalen-2-ylmethylamino)methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[(naphthalen-2-ylmethylamino)methyl]hexan-1-ol
PubChem CID103707936
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name3-[(naphthalen-2-ylmethylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1ccc2ccccc2c1
InChIInChI=1S/C18H25NO/c1-2-5-15(10-11-20)13-19-14-16-8-9-17-6-3-4-7-18(17)12-16/h3-4,6-9,12,15,19-20H,2,5,10-11,13-14H2,1H3
InChIKeyMGIGFAUMXQVZGS-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(naphthalen-2-ylmethylamino)methyl]butan-1-ol
CID 115250860
3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol
CID 103707783
2-bromo-4-[[2-(2-hydroxyethyl)pentylamino]methyl]phenol
CID 114145275
3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol
CID 111470613
3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol
CID 111470632
3-[(thiophen-3-ylmethylamino)methyl]hexan-1-ol
CID 115660386
3-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]hexan-1-ol
CID 106114459
3-[[(4-methoxy-3-nitrophenyl)methylamino]methyl]hexan-1-ol
CID 103707788
N-(naphthalen-2-ylmethyl)hexan-3-amine
CID 63477604
3-[[(3-chloro-5-fluorophenyl)methylamino]methyl]hexan-1-ol
CID 104938136
3-[[(2,5-dimethylphenyl)methylamino]methyl]hexan-1-ol
CID 103707961
3-[(1-benzofuran-3-ylmethylamino)methyl]hexan-1-ol
CID 103826324

Frequently Asked Questions

What is the IUPAC name of 3-[(naphthalen-2-ylmethylamino)methyl]hexan-1-ol?
The IUPAC name of 3-[(naphthalen-2-ylmethylamino)methyl]hexan-1-ol (CID 103707936) is 3-[(naphthalen-2-ylmethylamino)methyl]hexan-1-ol.
What is the SMILES notation for 3-[(naphthalen-2-ylmethylamino)methyl]hexan-1-ol?
The canonical SMILES for 3-[(naphthalen-2-ylmethylamino)methyl]hexan-1-ol is CCCC(CCO)CNCc1ccc2ccccc2c1.
What is the InChIKey of 3-[(naphthalen-2-ylmethylamino)methyl]hexan-1-ol?
The InChIKey is MGIGFAUMXQVZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-2-5-15(10-11-20)13-19-14-16-8-9-17-6-3-4-7-18(17)12-16/h3-4,6-9,12,15,19-20H,2,5,10-11,13-14H2,1H3.
What are the key properties of 3-[(naphthalen-2-ylmethylamino)methyl]hexan-1-ol?
3-[(naphthalen-2-ylmethylamino)methyl]hexan-1-ol has a molecular weight of 271.40 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(naphthalen-2-ylmethylamino)methyl]hexan-1-ol is sourced from PubChem (CID 103707936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).