2-N-(4-bromonaphthalen-1-yl)propane-1,2-diamine

C13H15BrN2 — CID 103390813

IUPAC2-N-(4-bromonaphthalen-1-yl)propane-1,2-diamine
SMILESCC(CN)Nc1ccc(Br)c2ccccc12
InChIInChI=1S/C13H15BrN2/c1-9(8-15)16-13-7-6-12(14)10-4-2-3-5-11(10)13/h2-7,9,16H,8,15H2,1H3
InChIKeyYUWBMVVVJWLKKO-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.36
Rot. Bonds3

About 2-N-(4-bromonaphthalen-1-yl)propane-1,2-diamine

2-N-(4-bromonaphthalen-1-yl)propane-1,2-diamine (PubChem CID 103390813) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 2-N-(4-bromonaphthalen-1-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-bromonaphthalen-1-yl)propane-1,2-diamine
PubChem CID103390813
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name2-N-(4-bromonaphthalen-1-yl)propane-1,2-diamine
SMILESCC(CN)Nc1ccc(Br)c2ccccc12
InChIInChI=1S/C13H15BrN2/c1-9(8-15)16-13-7-6-12(14)10-4-2-3-5-11(10)13/h2-7,9,16H,8,15H2,1H3
InChIKeyYUWBMVVVJWLKKO-UHFFFAOYSA-N
XLogP3.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-Naphthyl)ethylenediamine
CID 15107
4-Bromo-1-naphthylamine
CID 75303
N-(4-Bromo-1-naphthyl)acetamide
CID 236431
1-Bromo-4-(Dimethylamino)Naphthalene
CID 4083804
4-Bromo-N,2-diethylaniline
CID 23053415
N'-naphthalen-1-ylethane-1,2-diamine;hydrochloride
CID 12402726
1-Naphthalenamine, N-ethyl-, hydrobromide (1:1)
CID 44148659
N-(4-Bromonaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine--hydrogen chloride (1/1)
CID 59278
Urea, 1-(2-bromoethyl)-3-(4-bromo-1-naphthyl)-
CID 3025303
beta-alanine, n-(5-bromo-1-naphthalenyl)-, monosodium salt
CID 23681177
6-Bromo-5-methyl-1,2,3,4-tetrahydroquinoline
CID 72710358
N-(Propan-2-YL)naphthalen-1-amine
CID 23088772

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromonaphthalen-1-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(4-bromonaphthalen-1-yl)propane-1,2-diamine (CID 103390813) is 2-N-(4-bromonaphthalen-1-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(4-bromonaphthalen-1-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(4-bromonaphthalen-1-yl)propane-1,2-diamine is CC(CN)Nc1ccc(Br)c2ccccc12.
What is the InChIKey of 2-N-(4-bromonaphthalen-1-yl)propane-1,2-diamine?
The InChIKey is YUWBMVVVJWLKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-9(8-15)16-13-7-6-12(14)10-4-2-3-5-11(10)13/h2-7,9,16H,8,15H2,1H3.
What are the key properties of 2-N-(4-bromonaphthalen-1-yl)propane-1,2-diamine?
2-N-(4-bromonaphthalen-1-yl)propane-1,2-diamine has a molecular weight of 279.18 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromonaphthalen-1-yl)propane-1,2-diamine is sourced from PubChem (CID 103390813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).