1-(3-bromophenyl)-3-methoxy-N-propylpentan-2-amine

C15H24BrNO — CID 116715984

IUPAC1-(3-bromophenyl)-3-methoxy-N-propylpentan-2-amine
SMILESCCCNC(Cc1cccc(Br)c1)C(CC)OC
InChIInChI=1S/C15H24BrNO/c1-4-9-17-14(15(5-2)18-3)11-12-7-6-8-13(16)10-12/h6-8,10,14-15,17H,4-5,9,11H2,1-3H3
InChIKeySLGKPYMMXYXZEE-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.78
Rot. Bonds8

About 1-(3-bromophenyl)-3-methoxy-N-propylpentan-2-amine

1-(3-bromophenyl)-3-methoxy-N-propylpentan-2-amine (PubChem CID 116715984) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-methoxy-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-methoxy-N-propylpentan-2-amine
PubChem CID116715984
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name1-(3-bromophenyl)-3-methoxy-N-propylpentan-2-amine
SMILESCCCNC(Cc1cccc(Br)c1)C(CC)OC
InChIInChI=1S/C15H24BrNO/c1-4-9-17-14(15(5-2)18-3)11-12-7-6-8-13(16)10-12/h6-8,10,14-15,17H,4-5,9,11H2,1-3H3
InChIKeySLGKPYMMXYXZEE-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-ethyl-3-methoxypentan-2-amine
CID 116715692
1-(4-bromo-2-chlorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116716006
1-(3,5-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 105406993
1-(2-bromo-3-fluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116715973
N-ethyl-3-methoxy-1-(3-methylphenyl)pentan-2-amine
CID 116715829
1-(furan-3-yl)-3-methoxy-N-propylpentan-2-amine
CID 116715979
N-[2-(3-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
CID 60817937
1-(2,3-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116716158
1-(3-bromophenyl)-4-methylidene-N-propylhexan-2-amine
CID 66047440
N-[2-(3-bromophenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714808
1-bromo-3-(2,2-dimethoxyethyl)benzene;ethane
CID 143308934
1-(3-bromophenyl)-N-ethyl-3-phenylpentan-2-amine
CID 115788902

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-methoxy-N-propylpentan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-3-methoxy-N-propylpentan-2-amine (CID 116715984) is 1-(3-bromophenyl)-3-methoxy-N-propylpentan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-methoxy-N-propylpentan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-methoxy-N-propylpentan-2-amine is CCCNC(Cc1cccc(Br)c1)C(CC)OC.
What is the InChIKey of 1-(3-bromophenyl)-3-methoxy-N-propylpentan-2-amine?
The InChIKey is SLGKPYMMXYXZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-4-9-17-14(15(5-2)18-3)11-12-7-6-8-13(16)10-12/h6-8,10,14-15,17H,4-5,9,11H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-3-methoxy-N-propylpentan-2-amine?
1-(3-bromophenyl)-3-methoxy-N-propylpentan-2-amine has a molecular weight of 314.27 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-methoxy-N-propylpentan-2-amine is sourced from PubChem (CID 116715984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).