1-[1-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine

C19H22ClN — CID 63501769

IUPAC1-[1-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine
SMILESCNCC1(Cc2cccc(Cl)c2)CCCc2ccccc21
InChIInChI=1S/C19H22ClN/c1-21-14-19(13-15-6-4-9-17(20)12-15)11-5-8-16-7-2-3-10-18(16)19/h2-4,6-7,9-10,12,21H,5,8,11,13-14H2,1H3
InChIKeyJKKNCLPLAQSHAF-UHFFFAOYSA-N
MW299.85 g/mol
LogP4.38
Rot. Bonds4

About 1-[1-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine

1-[1-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine (PubChem CID 63501769) has the molecular formula C19H22ClN and a molecular weight of 299.85 g/mol. Its IUPAC name is 1-[1-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine
PubChem CID63501769
Molecular FormulaC19H22ClN
Molecular Weight299.85 g/mol
Exact Mass299.14
IUPAC Name1-[1-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine
SMILESCNCC1(Cc2cccc(Cl)c2)CCCc2ccccc21
InChIInChI=1S/C19H22ClN/c1-21-14-19(13-15-6-4-9-17(20)12-15)11-5-8-16-7-2-3-10-18(16)19/h2-4,6-7,9-10,12,21H,5,8,11,13-14H2,1H3
InChIKeyJKKNCLPLAQSHAF-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine (CID 63501769) is 1-[1-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine is CNCC1(Cc2cccc(Cl)c2)CCCc2ccccc21.
What is the InChIKey of 1-[1-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine?
The InChIKey is JKKNCLPLAQSHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN/c1-21-14-19(13-15-6-4-9-17(20)12-15)11-5-8-16-7-2-3-10-18(16)19/h2-4,6-7,9-10,12,21H,5,8,11,13-14H2,1H3.
What are the key properties of 1-[1-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine?
1-[1-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine has a molecular weight of 299.85 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine is sourced from PubChem (CID 63501769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).