1-(3-bromophenyl)-3-ethyl-N-methylheptan-2-amine

C16H26BrN — CID 63528117

IUPAC1-(3-bromophenyl)-3-ethyl-N-methylheptan-2-amine
SMILESCCCCC(CC)C(Cc1cccc(Br)c1)NC
InChIInChI=1S/C16H26BrN/c1-4-6-9-14(5-2)16(18-3)12-13-8-7-10-15(17)11-13/h7-8,10-11,14,16,18H,4-6,9,12H2,1-3H3
InChIKeyURHBNNDKZCKPTE-UHFFFAOYSA-N
MW312.29 g/mol
LogP4.80
Rot. Bonds8

About 1-(3-bromophenyl)-3-ethyl-N-methylheptan-2-amine

1-(3-bromophenyl)-3-ethyl-N-methylheptan-2-amine (PubChem CID 63528117) has the molecular formula C16H26BrN and a molecular weight of 312.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-ethyl-N-methylheptan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-ethyl-N-methylheptan-2-amine
PubChem CID63528117
Molecular FormulaC16H26BrN
Molecular Weight312.29 g/mol
Exact Mass311.12
IUPAC Name1-(3-bromophenyl)-3-ethyl-N-methylheptan-2-amine
SMILESCCCCC(CC)C(Cc1cccc(Br)c1)NC
InChIInChI=1S/C16H26BrN/c1-4-6-9-14(5-2)16(18-3)12-13-8-7-10-15(17)11-13/h7-8,10-11,14,16,18H,4-6,9,12H2,1-3H3
InChIKeyURHBNNDKZCKPTE-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(3-bromophenyl)-3-ethylheptan-2-yl]hydrazine
CID 105284555
3-(3-bromophenyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103759748
1-(4-chlorophenyl)-3-ethyl-N-methylheptan-2-amine
CID 63528266
1-(3-bromophenyl)-N-propan-2-ylhexan-2-amine
CID 79412796
3-ethyl-1-(3-methylphenyl)-N-propylheptan-2-amine
CID 63528478
2-[(3-bromophenyl)methyl]-N-ethylhexan-1-amine
CID 63523538
[1-(3-bromophenyl)-3-methylhexan-2-yl]hydrazine
CID 105284586
2-[(3-bromophenyl)methyl]-N-methyloctan-1-amine
CID 63522281
3-ethyl-1-(furan-2-yl)-N-methylheptan-2-amine
CID 105029282
3-ethyl-1-(2-fluorophenyl)-N-methylheptan-2-amine
CID 63527234
1-(3-bromophenyl)heptan-2-ylhydrazine
CID 105202849
2-[(3-bromophenyl)methyl]-N,4-diethyloctan-1-amine
CID 63522817

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-ethyl-N-methylheptan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-3-ethyl-N-methylheptan-2-amine (CID 63528117) is 1-(3-bromophenyl)-3-ethyl-N-methylheptan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-ethyl-N-methylheptan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-ethyl-N-methylheptan-2-amine is CCCCC(CC)C(Cc1cccc(Br)c1)NC.
What is the InChIKey of 1-(3-bromophenyl)-3-ethyl-N-methylheptan-2-amine?
The InChIKey is URHBNNDKZCKPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN/c1-4-6-9-14(5-2)16(18-3)12-13-8-7-10-15(17)11-13/h7-8,10-11,14,16,18H,4-6,9,12H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-3-ethyl-N-methylheptan-2-amine?
1-(3-bromophenyl)-3-ethyl-N-methylheptan-2-amine has a molecular weight of 312.29 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-ethyl-N-methylheptan-2-amine is sourced from PubChem (CID 63528117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).