4-N-(6-bromonaphthalen-2-yl)-5-methoxypentane-1,4-diamine

C16H21BrN2O — CID 103390438

IUPAC4-N-(6-bromonaphthalen-2-yl)-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H21BrN2O/c1-20-11-16(3-2-8-18)19-15-7-5-12-9-14(17)6-4-13(12)10-15/h4-7,9-10,16,19H,2-3,8,11,18H2,1H3
InChIKeyLJGKTLBIBFHMSB-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.77
Rot. Bonds7

About 4-N-(6-bromonaphthalen-2-yl)-5-methoxypentane-1,4-diamine

4-N-(6-bromonaphthalen-2-yl)-5-methoxypentane-1,4-diamine (PubChem CID 103390438) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is 4-N-(6-bromonaphthalen-2-yl)-5-methoxypentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(6-bromonaphthalen-2-yl)-5-methoxypentane-1,4-diamine
PubChem CID103390438
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC Name4-N-(6-bromonaphthalen-2-yl)-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H21BrN2O/c1-20-11-16(3-2-8-18)19-15-7-5-12-9-14(17)6-4-13(12)10-15/h4-7,9-10,16,19H,2-3,8,11,18H2,1H3
InChIKeyLJGKTLBIBFHMSB-UHFFFAOYSA-N
XLogP3.77
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-bromo-2-chlorophenyl)-5-methoxypentane-1,4-diamine
CID 103387782
4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine
CID 103387248
4-N-(4-bromo-2,6-difluorophenyl)-5-methoxypentane-1,4-diamine
CID 103390195
5-methoxy-4-N-(3-methylsulfanylphenyl)pentane-1,4-diamine
CID 103387005
4-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methoxypentane-1,4-diamine
CID 103389195
5-[(5-amino-1-methoxypentan-2-yl)amino]-2-chlorobenzamide
CID 103388414
2-[4-[(5-amino-1-methoxypentan-2-yl)amino]phenoxy]acetamide
CID 103388398
N-[5-[(5-amino-1-methoxypentan-2-yl)amino]-2-fluorophenyl]methanesulfonamide
CID 103388710
4-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-methoxypentane-1,4-diamine
CID 103389279
5-[(5-amino-1-methoxypentan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 103388876
4-[(5-amino-1-methoxypentan-2-yl)amino]-N-methylbenzamide
CID 103388125
5-methoxy-4-N-(4-pyrrolidin-1-ylphenyl)pentane-1,4-diamine
CID 103388717

Frequently Asked Questions

What is the IUPAC name of 4-N-(6-bromonaphthalen-2-yl)-5-methoxypentane-1,4-diamine?
The IUPAC name of 4-N-(6-bromonaphthalen-2-yl)-5-methoxypentane-1,4-diamine (CID 103390438) is 4-N-(6-bromonaphthalen-2-yl)-5-methoxypentane-1,4-diamine.
What is the SMILES notation for 4-N-(6-bromonaphthalen-2-yl)-5-methoxypentane-1,4-diamine?
The canonical SMILES for 4-N-(6-bromonaphthalen-2-yl)-5-methoxypentane-1,4-diamine is COCC(CCCN)Nc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 4-N-(6-bromonaphthalen-2-yl)-5-methoxypentane-1,4-diamine?
The InChIKey is LJGKTLBIBFHMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c1-20-11-16(3-2-8-18)19-15-7-5-12-9-14(17)6-4-13(12)10-15/h4-7,9-10,16,19H,2-3,8,11,18H2,1H3.
What are the key properties of 4-N-(6-bromonaphthalen-2-yl)-5-methoxypentane-1,4-diamine?
4-N-(6-bromonaphthalen-2-yl)-5-methoxypentane-1,4-diamine has a molecular weight of 337.26 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-bromonaphthalen-2-yl)-5-methoxypentane-1,4-diamine is sourced from PubChem (CID 103390438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).