1-(6-bromonaphthalen-2-yl)-2-(3-bromophenyl)ethanamine

C18H15Br2N — CID 115354107

IUPAC1-(6-bromonaphthalen-2-yl)-2-(3-bromophenyl)ethanamine
SMILESNC(Cc1cccc(Br)c1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H15Br2N/c19-16-3-1-2-12(8-16)9-18(21)15-5-4-14-11-17(20)7-6-13(14)10-15/h1-8,10-11,18H,9,21H2
InChIKeyNDAUJNXPLDXCHU-UHFFFAOYSA-N
MW405.13 g/mol
LogP5.61
Rot. Bonds3

About 1-(6-bromonaphthalen-2-yl)-2-(3-bromophenyl)ethanamine

1-(6-bromonaphthalen-2-yl)-2-(3-bromophenyl)ethanamine (PubChem CID 115354107) has the molecular formula C18H15Br2N and a molecular weight of 405.13 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-2-(3-bromophenyl)ethanamine.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-2-(3-bromophenyl)ethanamine
PubChem CID115354107
Molecular FormulaC18H15Br2N
Molecular Weight405.13 g/mol
Exact Mass402.96
IUPAC Name1-(6-bromonaphthalen-2-yl)-2-(3-bromophenyl)ethanamine
SMILESNC(Cc1cccc(Br)c1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H15Br2N/c19-16-3-1-2-12(8-16)9-18(21)15-5-4-14-11-17(20)7-6-13(14)10-15/h1-8,10-11,18H,9,21H2
InChIKeyNDAUJNXPLDXCHU-UHFFFAOYSA-N
XLogP5.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.13
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6-bromonaphthalen-2-yl)-2-(3-methylphenyl)ethanamine
CID 115354108
2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine
CID 60798720
2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 60819321
2-(3-bromophenyl)-1-(4-chlorophenyl)ethanamine
CID 60820505
2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 60820005
2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 55225085
1-(6-bromonaphthalen-2-yl)-2-(furan-2-yl)ethanamine
CID 105029613
2-(3-bromo-5-fluorophenyl)-1-naphthalen-2-ylethanamine
CID 79699816
2-(3-bromophenyl)-1-naphthalen-1-ylethanamine
CID 63412102
2-(3-bromo-4-fluorophenyl)-1-naphthalen-2-ylethanamine
CID 63416624
2-bromo-6-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene
CID 115354481
1-(3-bromophenyl)-2-(4-chlorophenyl)ethanamine
CID 60819329

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)-2-(3-bromophenyl)ethanamine?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-2-(3-bromophenyl)ethanamine (CID 115354107) is 1-(6-bromonaphthalen-2-yl)-2-(3-bromophenyl)ethanamine.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-2-(3-bromophenyl)ethanamine?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-2-(3-bromophenyl)ethanamine is NC(Cc1cccc(Br)c1)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-2-(3-bromophenyl)ethanamine?
The InChIKey is NDAUJNXPLDXCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Br2N/c19-16-3-1-2-12(8-16)9-18(21)15-5-4-14-11-17(20)7-6-13(14)10-15/h1-8,10-11,18H,9,21H2.
What are the key properties of 1-(6-bromonaphthalen-2-yl)-2-(3-bromophenyl)ethanamine?
1-(6-bromonaphthalen-2-yl)-2-(3-bromophenyl)ethanamine has a molecular weight of 405.13 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)-2-(3-bromophenyl)ethanamine is sourced from PubChem (CID 115354107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).