1-(4-bromophenyl)-4-methyl-N-propylheptan-2-amine

C17H28BrN — CID 55185468

IUPAC1-(4-bromophenyl)-4-methyl-N-propylheptan-2-amine
SMILESCCCNC(Cc1ccc(Br)cc1)CC(C)CCC
InChIInChI=1S/C17H28BrN/c1-4-6-14(3)12-17(19-11-5-2)13-15-7-9-16(18)10-8-15/h7-10,14,17,19H,4-6,11-13H2,1-3H3
InChIKeyMJOGTGNUADFNKA-UHFFFAOYSA-N
MW326.32 g/mol
LogP5.19
Rot. Bonds9

About 1-(4-bromophenyl)-4-methyl-N-propylheptan-2-amine

1-(4-bromophenyl)-4-methyl-N-propylheptan-2-amine (PubChem CID 55185468) has the molecular formula C17H28BrN and a molecular weight of 326.32 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-methyl-N-propylheptan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-methyl-N-propylheptan-2-amine
PubChem CID55185468
Molecular FormulaC17H28BrN
Molecular Weight326.32 g/mol
Exact Mass325.14
IUPAC Name1-(4-bromophenyl)-4-methyl-N-propylheptan-2-amine
SMILESCCCNC(Cc1ccc(Br)cc1)CC(C)CCC
InChIInChI=1S/C17H28BrN/c1-4-6-14(3)12-17(19-11-5-2)13-15-7-9-16(18)10-8-15/h7-10,14,17,19H,4-6,11-13H2,1-3H3
InChIKeyMJOGTGNUADFNKA-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.32
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(4-bromophenyl)-N-propylpropan-2-amine
CID 60818661
4-(4-bromophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 113291352
1-(4-bromophenyl)-N,4-dimethylhexan-2-amine
CID 62602616
1-(4-bromophenyl)-N-ethylpentan-2-amine
CID 60819872
1-(4-bromophenyl)-N-propylhept-5-yn-2-amine
CID 113455205
1-(4-methoxyphenyl)-5-methyl-N-propyloctan-3-amine
CID 115845424
2-[(4-bromophenyl)methyl]-4-methylheptan-1-amine
CID 63497937
1-(4-bromophenyl)-N-methylpentan-2-amine
CID 60818837
1-(2,5-dimethylphenyl)-4-methyl-N-propylheptan-2-amine
CID 115845513
3-(4-bromophenyl)-2-methyl-N-propylpropan-1-amine
CID 62531086
1-(4-bromophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 103987520
1-(4-bromophenyl)-3-ethoxy-3-ethyl-N-propylpentan-2-amine
CID 116760397

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-methyl-N-propylheptan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-4-methyl-N-propylheptan-2-amine (CID 55185468) is 1-(4-bromophenyl)-4-methyl-N-propylheptan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-4-methyl-N-propylheptan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-4-methyl-N-propylheptan-2-amine is CCCNC(Cc1ccc(Br)cc1)CC(C)CCC.
What is the InChIKey of 1-(4-bromophenyl)-4-methyl-N-propylheptan-2-amine?
The InChIKey is MJOGTGNUADFNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrN/c1-4-6-14(3)12-17(19-11-5-2)13-15-7-9-16(18)10-8-15/h7-10,14,17,19H,4-6,11-13H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-4-methyl-N-propylheptan-2-amine?
1-(4-bromophenyl)-4-methyl-N-propylheptan-2-amine has a molecular weight of 326.32 g/mol, XLogP of 5.19, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-methyl-N-propylheptan-2-amine is sourced from PubChem (CID 55185468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).