1-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentan-3-amine

C16H24ClN — CID 113496280

IUPAC1-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentan-3-amine
SMILESCCC(CCCl)NCC1CCCc2ccccc21
InChIInChI=1S/C16H24ClN/c1-2-15(10-11-17)18-12-14-8-5-7-13-6-3-4-9-16(13)14/h3-4,6,9,14-15,18H,2,5,7-8,10-12H2,1H3
InChIKeyIBNOBYMSLOESBY-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.10
Rot. Bonds6

About 1-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentan-3-amine

1-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentan-3-amine (PubChem CID 113496280) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 1-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentan-3-amine.

Molecular Properties

Compound Name1-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentan-3-amine
PubChem CID113496280
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name1-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentan-3-amine
SMILESCCC(CCCl)NCC1CCCc2ccccc21
InChIInChI=1S/C16H24ClN/c1-2-15(10-11-17)18-12-14-8-5-7-13-6-3-4-9-16(13)14/h3-4,6,9,14-15,18H,2,5,7-8,10-12H2,1H3
InChIKeyIBNOBYMSLOESBY-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.10
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

N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine
CID 55241508
(1R)-1-cyclohexyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 81384440
4-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butan-2-amine
CID 83188117
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)but-3-yn-2-amine
CID 114416758
1-N,1-N-dimethyl-3-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butane-1,3-diamine
CID 63771246
6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)hexan-1-amine
CID 107845672
N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-amine
CID 115812394
(1R)-1-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 81347497
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine
CID 63770878
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 107644679

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentan-3-amine?
The IUPAC name of 1-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentan-3-amine (CID 113496280) is 1-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentan-3-amine.
What is the SMILES notation for 1-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentan-3-amine?
The canonical SMILES for 1-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentan-3-amine is CCC(CCCl)NCC1CCCc2ccccc21.
What is the InChIKey of 1-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentan-3-amine?
The InChIKey is IBNOBYMSLOESBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-2-15(10-11-17)18-12-14-8-5-7-13-6-3-4-9-16(13)14/h3-4,6,9,14-15,18H,2,5,7-8,10-12H2,1H3.
What are the key properties of 1-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentan-3-amine?
1-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentan-3-amine has a molecular weight of 265.83 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentan-3-amine is sourced from PubChem (CID 113496280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).