1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)methanamine

C18H16BrN — CID 10782345

IUPAC1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)methanamine
SMILESBrc1ccc(CNCc2cccc3ccccc23)cc1
InChIInChI=1S/C18H16BrN/c19-17-10-8-14(9-11-17)12-20-13-16-6-3-5-15-4-1-2-7-18(15)16/h1-11,20H,12-13H2
InChIKeyYVUJZZPGVIMFPD-UHFFFAOYSA-N
MW326.24 g/mol
LogP4.89
Rot. Bonds4

About 1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)methanamine

1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)methanamine (PubChem CID 10782345) has the molecular formula C18H16BrN and a molecular weight of 326.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)methanamine
PubChem CID10782345
Molecular FormulaC18H16BrN
Molecular Weight326.24 g/mol
Exact Mass325.05
IUPAC Name1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)methanamine
SMILESBrc1ccc(CNCc2cccc3ccccc23)cc1
InChIInChI=1S/C18H16BrN/c19-17-10-8-14(9-11-17)12-20-13-16-6-3-5-15-4-1-2-7-18(15)16/h1-11,20H,12-13H2
InChIKeyYVUJZZPGVIMFPD-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 54.89
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-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;hydrochloride
CID 17289839
1-(3,4-dichlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine
CID 63478519
N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
N-[(5-bromofuran-2-yl)methyl]-1-naphthalen-1-ylmethanamine
CID 62369252
2-[4-[(naphthalen-1-ylmethylamino)methyl]phenoxy]acetamide
CID 56820849
(1R)-1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 81357004
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
N-[(2,6-difluorophenyl)methyl]-1-naphthalen-1-ylmethanamine
CID 62047867
1-(3-bromophenyl)-N-(isoquinolin-5-ylmethyl)methanamine
CID 62823366
methyl 2-[[(4-bromophenyl)methylamino]methyl]benzoate
CID 60781352
N-(naphthalen-1-ylmethyl)thiohydroxylamine
CID 130243841

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)methanamine?
The IUPAC name of 1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)methanamine (CID 10782345) is 1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)methanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)methanamine is Brc1ccc(CNCc2cccc3ccccc23)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)methanamine?
The InChIKey is YVUJZZPGVIMFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN/c19-17-10-8-14(9-11-17)12-20-13-16-6-3-5-15-4-1-2-7-18(15)16/h1-11,20H,12-13H2.
What are the key properties of 1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)methanamine?
1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)methanamine has a molecular weight of 326.24 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)methanamine is sourced from PubChem (CID 10782345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).