1-(3-bromophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine

C14H23BrN2 — CID 43269395

IUPAC1-(3-bromophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
SMILESCCCN(C(C)C)C(CN)c1cccc(Br)c1
InChIInChI=1S/C14H23BrN2/c1-4-8-17(11(2)3)14(10-16)12-6-5-7-13(15)9-12/h5-7,9,11,14H,4,8,10,16H2,1-3H3
InChIKeyPKRJSQWZGWWLFA-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.57
Rot. Bonds6

About 1-(3-bromophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine

1-(3-bromophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine (PubChem CID 43269395) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
PubChem CID43269395
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name1-(3-bromophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
SMILESCCCN(C(C)C)C(CN)c1cccc(Br)c1
InChIInChI=1S/C14H23BrN2/c1-4-8-17(11(2)3)14(10-16)12-6-5-7-13(15)9-12/h5-7,9,11,14H,4,8,10,16H2,1-3H3
InChIKeyPKRJSQWZGWWLFA-UHFFFAOYSA-N
XLogP3.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
CID 43265571
1-(3-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269372
1-(3-bromophenyl)-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine
CID 55000910
1-(3-bromo-4-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269361
2-[[2-amino-1-(3-bromophenyl)ethyl]-butylamino]ethanol
CID 55019534
1-(3-chlorophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
CID 43265560
1-(3,5-dimethoxyphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269422
1-(3-bromophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657494
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 60869172
3-[[2-amino-1-(3-fluorophenyl)ethyl]-propan-2-ylamino]propanenitrile
CID 55020201
1-(3-bromophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
CID 63697349
2-[[2-amino-1-(3-bromophenyl)ethyl]-(2-methylpropyl)amino]acetamide
CID 55018046

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine?
The IUPAC name of 1-(3-bromophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine (CID 43269395) is 1-(3-bromophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine?
The canonical SMILES for 1-(3-bromophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine is CCCN(C(C)C)C(CN)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine?
The InChIKey is PKRJSQWZGWWLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-4-8-17(11(2)3)14(10-16)12-6-5-7-13(15)9-12/h5-7,9,11,14H,4,8,10,16H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine?
1-(3-bromophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine has a molecular weight of 299.26 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine is sourced from PubChem (CID 43269395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).