1-chloro-N,2-dimethyl-N-(naphthalen-1-ylmethyl)propan-2-amine

C16H20ClN — CID 113476471

IUPAC1-chloro-N,2-dimethyl-N-(naphthalen-1-ylmethyl)propan-2-amine
SMILESCN(Cc1cccc2ccccc12)C(C)(C)CCl
InChIInChI=1S/C16H20ClN/c1-16(2,12-17)18(3)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10H,11-12H2,1-3H3
InChIKeyLJZKSWRYCJVRQW-UHFFFAOYSA-N
MW261.80 g/mol
LogP4.29
Rot. Bonds4

About 1-chloro-N,2-dimethyl-N-(naphthalen-1-ylmethyl)propan-2-amine

1-chloro-N,2-dimethyl-N-(naphthalen-1-ylmethyl)propan-2-amine (PubChem CID 113476471) has the molecular formula C16H20ClN and a molecular weight of 261.80 g/mol. Its IUPAC name is 1-chloro-N,2-dimethyl-N-(naphthalen-1-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-chloro-N,2-dimethyl-N-(naphthalen-1-ylmethyl)propan-2-amine
PubChem CID113476471
Molecular FormulaC16H20ClN
Molecular Weight261.80 g/mol
Exact Mass261.13
IUPAC Name1-chloro-N,2-dimethyl-N-(naphthalen-1-ylmethyl)propan-2-amine
SMILESCN(Cc1cccc2ccccc12)C(C)(C)CCl
InChIInChI=1S/C16H20ClN/c1-16(2,12-17)18(3)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10H,11-12H2,1-3H3
InChIKeyLJZKSWRYCJVRQW-UHFFFAOYSA-N
XLogP4.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.80
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Dimethyldodecyl(1-naphthylmethyl)ammonium chloride
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Piperidine, 1-(2-naphthalenylmethyl)-
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N-methyl-N-(1-naphthalenylmethyl)-3-phenyl-2-propen-1-amine
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N-methyl(1-naphthyl)-N-(1-naphthylmethyl)methanamine
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N,2-dimethyl-N-(naphthalen-1-ylmethyl)propan-2-amine?
The IUPAC name of 1-chloro-N,2-dimethyl-N-(naphthalen-1-ylmethyl)propan-2-amine (CID 113476471) is 1-chloro-N,2-dimethyl-N-(naphthalen-1-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-chloro-N,2-dimethyl-N-(naphthalen-1-ylmethyl)propan-2-amine?
The canonical SMILES for 1-chloro-N,2-dimethyl-N-(naphthalen-1-ylmethyl)propan-2-amine is CN(Cc1cccc2ccccc12)C(C)(C)CCl.
What is the InChIKey of 1-chloro-N,2-dimethyl-N-(naphthalen-1-ylmethyl)propan-2-amine?
The InChIKey is LJZKSWRYCJVRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN/c1-16(2,12-17)18(3)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10H,11-12H2,1-3H3.
What are the key properties of 1-chloro-N,2-dimethyl-N-(naphthalen-1-ylmethyl)propan-2-amine?
1-chloro-N,2-dimethyl-N-(naphthalen-1-ylmethyl)propan-2-amine has a molecular weight of 261.80 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N,2-dimethyl-N-(naphthalen-1-ylmethyl)propan-2-amine is sourced from PubChem (CID 113476471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).