1-(5-bromo-2-fluorophenyl)-N-(cyclopropylmethyl)-N-propylethane-1,2-diamine

C15H22BrFN2 — CID 61440999

IUPAC1-(5-bromo-2-fluorophenyl)-N-(cyclopropylmethyl)-N-propylethane-1,2-diamine
SMILESCCCN(CC1CC1)C(CN)c1cc(Br)ccc1F
InChIInChI=1S/C15H22BrFN2/c1-2-7-19(10-11-3-4-11)15(9-18)13-8-12(16)5-6-14(13)17/h5-6,8,11,15H,2-4,7,9-10,18H2,1H3
InChIKeyIZXKSBOVPNNPFV-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.71
Rot. Bonds7

About 1-(5-bromo-2-fluorophenyl)-N-(cyclopropylmethyl)-N-propylethane-1,2-diamine

1-(5-bromo-2-fluorophenyl)-N-(cyclopropylmethyl)-N-propylethane-1,2-diamine (PubChem CID 61440999) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-(cyclopropylmethyl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-(cyclopropylmethyl)-N-propylethane-1,2-diamine
PubChem CID61440999
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-(cyclopropylmethyl)-N-propylethane-1,2-diamine
SMILESCCCN(CC1CC1)C(CN)c1cc(Br)ccc1F
InChIInChI=1S/C15H22BrFN2/c1-2-7-19(10-11-3-4-11)15(9-18)13-8-12(16)5-6-14(13)17/h5-6,8,11,15H,2-4,7,9-10,18H2,1H3
InChIKeyIZXKSBOVPNNPFV-UHFFFAOYSA-N
XLogP3.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-fluorophenyl)-N-(cyclopropylmethyl)-N-methylethane-1,2-diamine
CID 54883966
1-(5-bromo-2-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine
CID 43540902
1-(5-bromo-2-fluorophenyl)-N-ethyl-N-(2-ethylbutyl)ethane-1,2-diamine
CID 63472138
1-(4-bromo-2-fluorophenyl)-N-cyclopropyl-N-propylethane-1,2-diamine
CID 43270201
N-benzyl-1-(5-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine
CID 43126076
1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)-N-propylethane-1,2-diamine
CID 62698501
N-(cyclopropylmethyl)-1-phenyl-N-propylpropane-1,3-diamine
CID 62780378
N-(cyclobutylmethyl)-N-ethyl-1-(2-fluorophenyl)ethane-1,2-diamine
CID 107397363
1-(5-bromo-2-fluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112658204
1-(4-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-propylbutane-1,2-diamine
CID 63406372
N-(cyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)-N-propylethane-1,2-diamine
CID 61440569
1-(5-chloro-2-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 114842862

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-(cyclopropylmethyl)-N-propylethane-1,2-diamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-(cyclopropylmethyl)-N-propylethane-1,2-diamine (CID 61440999) is 1-(5-bromo-2-fluorophenyl)-N-(cyclopropylmethyl)-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-(cyclopropylmethyl)-N-propylethane-1,2-diamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-(cyclopropylmethyl)-N-propylethane-1,2-diamine is CCCN(CC1CC1)C(CN)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-(cyclopropylmethyl)-N-propylethane-1,2-diamine?
The InChIKey is IZXKSBOVPNNPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-2-7-19(10-11-3-4-11)15(9-18)13-8-12(16)5-6-14(13)17/h5-6,8,11,15H,2-4,7,9-10,18H2,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-(cyclopropylmethyl)-N-propylethane-1,2-diamine?
1-(5-bromo-2-fluorophenyl)-N-(cyclopropylmethyl)-N-propylethane-1,2-diamine has a molecular weight of 329.26 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N-(cyclopropylmethyl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 61440999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).