1-(3,4-dichlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine

C18H15Cl2N — CID 63478519

IUPAC1-(3,4-dichlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine
SMILESClc1ccc(CNCc2cccc3ccccc23)cc1Cl
InChIInChI=1S/C18H15Cl2N/c19-17-9-8-13(10-18(17)20)11-21-12-15-6-3-5-14-4-1-2-7-16(14)15/h1-10,21H,11-12H2
InChIKeyDTXJRBYMPJMTLT-UHFFFAOYSA-N
MW316.23 g/mol
LogP5.44
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine

1-(3,4-dichlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine (PubChem CID 63478519) has the molecular formula C18H15Cl2N and a molecular weight of 316.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine
PubChem CID63478519
Molecular FormulaC18H15Cl2N
Molecular Weight316.23 g/mol
Exact Mass315.06
IUPAC Name1-(3,4-dichlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine
SMILESClc1ccc(CNCc2cccc3ccccc23)cc1Cl
InChIInChI=1S/C18H15Cl2N/c19-17-9-8-13(10-18(17)20)11-21-12-15-6-3-5-14-4-1-2-7-16(14)15/h1-10,21H,11-12H2
InChIKeyDTXJRBYMPJMTLT-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.23
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-(naphthalen-1-ylmethyl)-N-[[4-[[2-(naphthalen-1-ylmethylamino)ethylamino]methyl]phenyl]methyl]ethane-1,2-diamine
CID 102025774
1-(3,4-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60744348
1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)methanamine
CID 10782345
1-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;hydrochloride
CID 17289839
1-(3,4-dichlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 29051450
N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
2-[[(4-bromo-3-chlorophenyl)methylamino]methyl]phenol
CID 103581659
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
1-naphthalen-1-yl-N-(pyridin-2-ylmethyl)methanamine
CID 935553
1-[(3,4-dichlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17293833
1-naphthalen-1-yl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
CID 90124709
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine (CID 63478519) is 1-(3,4-dichlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine is Clc1ccc(CNCc2cccc3ccccc23)cc1Cl.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine?
The InChIKey is DTXJRBYMPJMTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N/c19-17-9-8-13(10-18(17)20)11-21-12-15-6-3-5-14-4-1-2-7-16(14)15/h1-10,21H,11-12H2.
What are the key properties of 1-(3,4-dichlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine?
1-(3,4-dichlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine has a molecular weight of 316.23 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine is sourced from PubChem (CID 63478519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).