1-(4-bromophenyl)-3-methoxy-4-methyl-N-propylpentan-2-amine

C16H26BrNO — CID 116720568

IUPAC1-(4-bromophenyl)-3-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(Br)cc1)C(OC)C(C)C
InChIInChI=1S/C16H26BrNO/c1-5-10-18-15(16(19-4)12(2)3)11-13-6-8-14(17)9-7-13/h6-9,12,15-16,18H,5,10-11H2,1-4H3
InChIKeyUBNUCNFNRPNCLW-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.03
Rot. Bonds8

About 1-(4-bromophenyl)-3-methoxy-4-methyl-N-propylpentan-2-amine

1-(4-bromophenyl)-3-methoxy-4-methyl-N-propylpentan-2-amine (PubChem CID 116720568) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-methoxy-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-methoxy-4-methyl-N-propylpentan-2-amine
PubChem CID116720568
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name1-(4-bromophenyl)-3-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(Br)cc1)C(OC)C(C)C
InChIInChI=1S/C16H26BrNO/c1-5-10-18-15(16(19-4)12(2)3)11-13-6-8-14(17)9-7-13/h6-9,12,15-16,18H,5,10-11H2,1-4H3
InChIKeyUBNUCNFNRPNCLW-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-4-methyl-1-phenyl-N-propylpentan-2-amine
CID 116720474
1,3-bis(4-bromophenyl)-N-propylpropan-2-amine
CID 60818661
1-(furan-2-yl)-3-methoxy-4-methyl-N-propylpentan-2-amine
CID 116720645
3-methoxy-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 116720670
1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-propylbutan-2-amine
CID 79616476
1-(3,4-difluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 116720190
1-(4-bromophenyl)-4-methyl-N-propylheptan-2-amine
CID 55185468
1-bromo-4-(2,2-dimethoxyethyl)benzene
CID 11550515
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4-methyl-N-propylpentan-2-amine
CID 116720461
3-(4-bromophenyl)-2-methyl-N-propylpropan-1-amine
CID 62531086
1-(3-bromophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116715984
1,1-dimethoxy-N-propyl-3-pyridin-4-ylpropan-2-amine
CID 79493387

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-methoxy-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-3-methoxy-4-methyl-N-propylpentan-2-amine (CID 116720568) is 1-(4-bromophenyl)-3-methoxy-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-methoxy-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-methoxy-4-methyl-N-propylpentan-2-amine is CCCNC(Cc1ccc(Br)cc1)C(OC)C(C)C.
What is the InChIKey of 1-(4-bromophenyl)-3-methoxy-4-methyl-N-propylpentan-2-amine?
The InChIKey is UBNUCNFNRPNCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-5-10-18-15(16(19-4)12(2)3)11-13-6-8-14(17)9-7-13/h6-9,12,15-16,18H,5,10-11H2,1-4H3.
What are the key properties of 1-(4-bromophenyl)-3-methoxy-4-methyl-N-propylpentan-2-amine?
1-(4-bromophenyl)-3-methoxy-4-methyl-N-propylpentan-2-amine has a molecular weight of 328.29 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-methoxy-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 116720568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).