1-(4-chloronaphthalen-1-yl)-N-methyloctan-1-amine

C19H26ClN — CID 79591637

IUPAC1-(4-chloronaphthalen-1-yl)-N-methyloctan-1-amine
SMILESCCCCCCCC(NC)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C19H26ClN/c1-3-4-5-6-7-12-19(21-2)17-13-14-18(20)16-11-9-8-10-15(16)17/h8-11,13-14,19,21H,3-7,12H2,1-2H3
InChIKeyTUPWVPSVDNQIFM-UHFFFAOYSA-N
MW303.88 g/mol
LogP6.11
Rot. Bonds8

About 1-(4-chloronaphthalen-1-yl)-N-methyloctan-1-amine

1-(4-chloronaphthalen-1-yl)-N-methyloctan-1-amine (PubChem CID 79591637) has the molecular formula C19H26ClN and a molecular weight of 303.88 g/mol. Its IUPAC name is 1-(4-chloronaphthalen-1-yl)-N-methyloctan-1-amine.

Molecular Properties

Compound Name1-(4-chloronaphthalen-1-yl)-N-methyloctan-1-amine
PubChem CID79591637
Molecular FormulaC19H26ClN
Molecular Weight303.88 g/mol
Exact Mass303.18
IUPAC Name1-(4-chloronaphthalen-1-yl)-N-methyloctan-1-amine
SMILESCCCCCCCC(NC)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C19H26ClN/c1-3-4-5-6-7-12-19(21-2)17-13-14-18(20)16-11-9-8-10-15(16)17/h8-11,13-14,19,21H,3-7,12H2,1-2H3
InChIKeyTUPWVPSVDNQIFM-UHFFFAOYSA-N
XLogP6.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.88
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloronaphthalen-1-yl)nonan-1-ol
CID 79592377
N-methyl-1-[2-[1-(methylamino)pentadecyl]phenyl]pentadecan-1-amine
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1-(2,5-dichlorophenyl)-N-methylnonan-1-amine
CID 65449520
1-(2,5-dichlorophenyl)-N-methyldecan-1-amine
CID 65449519
1-(3-chloro-2-methylphenyl)-N-methylheptan-1-amine
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N-methyl-1-quinolin-4-yloctan-1-amine
CID 105124579
1-(4-chloronaphthalen-1-yl)-N,3,3-trimethylbutan-1-amine
CID 79597722
1-(2,5-dichlorophenyl)-N-methylhexan-1-amine
CID 43486640
1-(5-bromo-2-chlorophenyl)-N-methylundecan-1-amine
CID 115846020
1-(4-bromo-2-chlorophenyl)-N-methylundecan-1-amine
CID 115845773
N-methyl-1-naphthalen-1-ylpentan-1-amine
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1-(2,6-dichlorophenyl)-N-methyloctan-1-amine
CID 115832250

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloronaphthalen-1-yl)-N-methyloctan-1-amine?
The IUPAC name of 1-(4-chloronaphthalen-1-yl)-N-methyloctan-1-amine (CID 79591637) is 1-(4-chloronaphthalen-1-yl)-N-methyloctan-1-amine.
What is the SMILES notation for 1-(4-chloronaphthalen-1-yl)-N-methyloctan-1-amine?
The canonical SMILES for 1-(4-chloronaphthalen-1-yl)-N-methyloctan-1-amine is CCCCCCCC(NC)c1ccc(Cl)c2ccccc12.
What is the InChIKey of 1-(4-chloronaphthalen-1-yl)-N-methyloctan-1-amine?
The InChIKey is TUPWVPSVDNQIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN/c1-3-4-5-6-7-12-19(21-2)17-13-14-18(20)16-11-9-8-10-15(16)17/h8-11,13-14,19,21H,3-7,12H2,1-2H3.
What are the key properties of 1-(4-chloronaphthalen-1-yl)-N-methyloctan-1-amine?
1-(4-chloronaphthalen-1-yl)-N-methyloctan-1-amine has a molecular weight of 303.88 g/mol, XLogP of 6.11, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloronaphthalen-1-yl)-N-methyloctan-1-amine is sourced from PubChem (CID 79591637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).