3-(chloromethyl)-N-(naphthalen-1-ylmethyl)pentan-3-amine

C17H22ClN — CID 65030262

IUPAC3-(chloromethyl)-N-(naphthalen-1-ylmethyl)pentan-3-amine
SMILESCCC(CC)(CCl)NCc1cccc2ccccc12
InChIInChI=1S/C17H22ClN/c1-3-17(4-2,13-18)19-12-15-10-7-9-14-8-5-6-11-16(14)15/h5-11,19H,3-4,12-13H2,1-2H3
InChIKeyXJHOQLBOZRBIKE-UHFFFAOYSA-N
MW275.82 g/mol
LogP4.73
Rot. Bonds6

About 3-(chloromethyl)-N-(naphthalen-1-ylmethyl)pentan-3-amine

3-(chloromethyl)-N-(naphthalen-1-ylmethyl)pentan-3-amine (PubChem CID 65030262) has the molecular formula C17H22ClN and a molecular weight of 275.82 g/mol. Its IUPAC name is 3-(chloromethyl)-N-(naphthalen-1-ylmethyl)pentan-3-amine.

Molecular Properties

Compound Name3-(chloromethyl)-N-(naphthalen-1-ylmethyl)pentan-3-amine
PubChem CID65030262
Molecular FormulaC17H22ClN
Molecular Weight275.82 g/mol
Exact Mass275.14
IUPAC Name3-(chloromethyl)-N-(naphthalen-1-ylmethyl)pentan-3-amine
SMILESCCC(CC)(CCl)NCc1cccc2ccccc12
InChIInChI=1S/C17H22ClN/c1-3-17(4-2,13-18)19-12-15-10-7-9-14-8-5-6-11-16(14)15/h5-11,19H,3-4,12-13H2,1-2H3
InChIKeyXJHOQLBOZRBIKE-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]pentan-3-amine
CID 113453891
3-methyl-3-(naphthalen-1-ylmethylamino)pentan-1-ol
CID 103774843
N-[(2-bromo-3-fluorophenyl)methyl]-1-chloro-2-(chloromethyl)butan-2-amine
CID 107867124
2-methyl-N-(naphthalen-1-ylmethyl)but-3-yn-2-amine
CID 63997059
3-ethyl-N-[(2-ethylphenyl)methyl]pentan-3-amine
CID 65039204
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
N-[1-chloro-2-(chloromethyl)butan-2-yl]phthalazin-1-amine
CID 114010824
N-(naphthalen-1-ylmethyl)thiohydroxylamine
CID 130243841
2-methyl-2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol
CID 81419243
azane;1-ethylnaphthalene
CID 19048185
N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-(naphthalen-1-ylmethyl)pentan-3-amine?
The IUPAC name of 3-(chloromethyl)-N-(naphthalen-1-ylmethyl)pentan-3-amine (CID 65030262) is 3-(chloromethyl)-N-(naphthalen-1-ylmethyl)pentan-3-amine.
What is the SMILES notation for 3-(chloromethyl)-N-(naphthalen-1-ylmethyl)pentan-3-amine?
The canonical SMILES for 3-(chloromethyl)-N-(naphthalen-1-ylmethyl)pentan-3-amine is CCC(CC)(CCl)NCc1cccc2ccccc12.
What is the InChIKey of 3-(chloromethyl)-N-(naphthalen-1-ylmethyl)pentan-3-amine?
The InChIKey is XJHOQLBOZRBIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN/c1-3-17(4-2,13-18)19-12-15-10-7-9-14-8-5-6-11-16(14)15/h5-11,19H,3-4,12-13H2,1-2H3.
What are the key properties of 3-(chloromethyl)-N-(naphthalen-1-ylmethyl)pentan-3-amine?
3-(chloromethyl)-N-(naphthalen-1-ylmethyl)pentan-3-amine has a molecular weight of 275.82 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-(naphthalen-1-ylmethyl)pentan-3-amine is sourced from PubChem (CID 65030262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).