1-(2-bromo-5-methoxyphenyl)-N-propan-2-ylhexan-2-amine

C16H26BrNO — CID 79412793

IUPAC1-(2-bromo-5-methoxyphenyl)-N-propan-2-ylhexan-2-amine
SMILESCCCCC(Cc1cc(OC)ccc1Br)NC(C)C
InChIInChI=1S/C16H26BrNO/c1-5-6-7-14(18-12(2)3)10-13-11-15(19-4)8-9-16(13)17/h8-9,11-12,14,18H,5-7,10H2,1-4H3
InChIKeyBYNBQIIXKIOLBZ-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.56
Rot. Bonds8

About 1-(2-bromo-5-methoxyphenyl)-N-propan-2-ylhexan-2-amine

1-(2-bromo-5-methoxyphenyl)-N-propan-2-ylhexan-2-amine (PubChem CID 79412793) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-N-propan-2-ylhexan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-N-propan-2-ylhexan-2-amine
PubChem CID79412793
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name1-(2-bromo-5-methoxyphenyl)-N-propan-2-ylhexan-2-amine
SMILESCCCCC(Cc1cc(OC)ccc1Br)NC(C)C
InChIInChI=1S/C16H26BrNO/c1-5-6-7-14(18-12(2)3)10-13-11-15(19-4)8-9-16(13)17/h8-9,11-12,14,18H,5-7,10H2,1-4H3
InChIKeyBYNBQIIXKIOLBZ-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine
CID 65325458
N-[(2-bromo-5-methoxyphenyl)methyl]octan-4-amine
CID 106023506
1-(2-bromo-5-methoxyphenyl)-N,4-dimethylhexan-2-amine
CID 115862236
1-(3-bromo-4-methoxyphenyl)-N-propan-2-ylhexan-2-amine
CID 79411886
1-(2-bromo-5-methoxyphenyl)-N,3-diethylheptan-2-amine
CID 115862221
1-(2-methoxy-5-methylphenyl)-N-propan-2-ylhexan-2-amine
CID 79412348
1-(2-bromo-5-methoxyphenyl)-N,3-dimethylhexan-2-amine
CID 115862124
1-(2-bromo-5-methoxyphenyl)pentan-2-amine
CID 65325502
1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine
CID 65325217
1-(2-bromo-5-methoxyphenyl)-3-methylhexan-2-ol
CID 65327514
[1-(2-bromo-5-methoxyphenyl)-4-ethoxybutan-2-yl]hydrazine
CID 105309540
1-(2-bromo-5-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 65325611

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-propan-2-ylhexan-2-amine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-propan-2-ylhexan-2-amine (CID 79412793) is 1-(2-bromo-5-methoxyphenyl)-N-propan-2-ylhexan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-N-propan-2-ylhexan-2-amine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-N-propan-2-ylhexan-2-amine is CCCCC(Cc1cc(OC)ccc1Br)NC(C)C.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-N-propan-2-ylhexan-2-amine?
The InChIKey is BYNBQIIXKIOLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-5-6-7-14(18-12(2)3)10-13-11-15(19-4)8-9-16(13)17/h8-9,11-12,14,18H,5-7,10H2,1-4H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-N-propan-2-ylhexan-2-amine?
1-(2-bromo-5-methoxyphenyl)-N-propan-2-ylhexan-2-amine has a molecular weight of 328.29 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-N-propan-2-ylhexan-2-amine is sourced from PubChem (CID 79412793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).