1-(3-bromo-4-methoxyphenyl)-4-methyl-N-propylpentan-2-amine

C16H26BrNO — CID 63412972

IUPAC1-(3-bromo-4-methoxyphenyl)-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(OC)c(Br)c1)CC(C)C
InChIInChI=1S/C16H26BrNO/c1-5-8-18-14(9-12(2)3)10-13-6-7-16(19-4)15(17)11-13/h6-7,11-12,14,18H,5,8-10H2,1-4H3
InChIKeyDMYLYDQBOLKRFH-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.41
Rot. Bonds8

About 1-(3-bromo-4-methoxyphenyl)-4-methyl-N-propylpentan-2-amine

1-(3-bromo-4-methoxyphenyl)-4-methyl-N-propylpentan-2-amine (PubChem CID 63412972) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-4-methyl-N-propylpentan-2-amine
PubChem CID63412972
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name1-(3-bromo-4-methoxyphenyl)-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(OC)c(Br)c1)CC(C)C
InChIInChI=1S/C16H26BrNO/c1-5-8-18-14(9-12(2)3)10-13-6-7-16(19-4)15(17)11-13/h6-7,11-12,14,18H,5,8-10H2,1-4H3
InChIKeyDMYLYDQBOLKRFH-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpentan-2-amine
CID 60865170
1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-propylbutan-2-amine
CID 79616476
3-(3-bromo-4-methoxyphenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 115818094
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
1-(3-bromo-4-methoxyphenyl)-N-ethylhexan-2-amine
CID 79405562
1-(3-bromo-4-methoxyphenyl)-N-propan-2-ylhexan-2-amine
CID 79411886
N-[2-(3-bromo-4-methoxyphenyl)-1-cyclopentylethyl]propan-1-amine
CID 63417125
2-[(3-bromo-4-methoxyphenyl)methyl]-N-propylbutan-1-amine
CID 62531151
4-(3-bromo-4-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81018947
[1-(3-bromo-4-methoxyphenyl)-3-(4-bromophenyl)propan-2-yl]hydrazine
CID 105195433
N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 29223820
3-(3-bromo-4-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62530687

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-4-methyl-N-propylpentan-2-amine (CID 63412972) is 1-(3-bromo-4-methoxyphenyl)-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-4-methyl-N-propylpentan-2-amine is CCCNC(Cc1ccc(OC)c(Br)c1)CC(C)C.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-4-methyl-N-propylpentan-2-amine?
The InChIKey is DMYLYDQBOLKRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-5-8-18-14(9-12(2)3)10-13-6-7-16(19-4)15(17)11-13/h6-7,11-12,14,18H,5,8-10H2,1-4H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-4-methyl-N-propylpentan-2-amine?
1-(3-bromo-4-methoxyphenyl)-4-methyl-N-propylpentan-2-amine has a molecular weight of 328.29 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 63412972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).