1-(4-bromophenyl)sulfanyl-4-methylheptan-2-amine

C14H22BrNS — CID 66056676

IUPAC1-(4-bromophenyl)sulfanyl-4-methylheptan-2-amine
SMILESCCCC(C)CC(N)CSc1ccc(Br)cc1
InChIInChI=1S/C14H22BrNS/c1-3-4-11(2)9-13(16)10-17-14-7-5-12(15)6-8-14/h5-8,11,13H,3-4,9-10,16H2,1-2H3
InChIKeyQLHNOAVEAPNQDZ-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.69
Rot. Bonds7

About 1-(4-bromophenyl)sulfanyl-4-methylheptan-2-amine

1-(4-bromophenyl)sulfanyl-4-methylheptan-2-amine (PubChem CID 66056676) has the molecular formula C14H22BrNS and a molecular weight of 316.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfanyl-4-methylheptan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfanyl-4-methylheptan-2-amine
PubChem CID66056676
Molecular FormulaC14H22BrNS
Molecular Weight316.31 g/mol
Exact Mass315.07
IUPAC Name1-(4-bromophenyl)sulfanyl-4-methylheptan-2-amine
SMILESCCCC(C)CC(N)CSc1ccc(Br)cc1
InChIInChI=1S/C14H22BrNS/c1-3-4-11(2)9-13(16)10-17-14-7-5-12(15)6-8-14/h5-8,11,13H,3-4,9-10,16H2,1-2H3
InChIKeyQLHNOAVEAPNQDZ-UHFFFAOYSA-N
XLogP4.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)sulfanyl-4-methylhexan-2-amine
CID 66056872
(2S)-1-(4-bromophenyl)sulfanylpropan-2-amine
CID 95457418
1-(4-bromophenyl)sulfanyl-3-propan-2-yloxypropan-2-amine
CID 79575020
1-(4-bromophenyl)sulfanyl-3-methylbutan-2-amine
CID 66054298
4-methyl-1-propan-2-ylsulfanylheptan-2-amine
CID 65132167
1-bromo-4-propylsulfanylbenzene;hydrofluoride
CID 174332462
1-(4-bromophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine
CID 66057294
4-methyl-1-phenylsulfanylpentan-2-amine
CID 65142507
[1-(4-bromophenyl)sulfanyl-5-methylhexan-2-yl]hydrazine
CID 105235845
1-(4-bromophenyl)sulfanylundecan-2-ol
CID 66054287
2-[(4-bromophenyl)methyl]-4-methylheptan-1-amine
CID 63497937
5-methyloctan-3-amine
CID 62599907

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfanyl-4-methylheptan-2-amine?
The IUPAC name of 1-(4-bromophenyl)sulfanyl-4-methylheptan-2-amine (CID 66056676) is 1-(4-bromophenyl)sulfanyl-4-methylheptan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)sulfanyl-4-methylheptan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)sulfanyl-4-methylheptan-2-amine is CCCC(C)CC(N)CSc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfanyl-4-methylheptan-2-amine?
The InChIKey is QLHNOAVEAPNQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNS/c1-3-4-11(2)9-13(16)10-17-14-7-5-12(15)6-8-14/h5-8,11,13H,3-4,9-10,16H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)sulfanyl-4-methylheptan-2-amine?
1-(4-bromophenyl)sulfanyl-4-methylheptan-2-amine has a molecular weight of 316.31 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfanyl-4-methylheptan-2-amine is sourced from PubChem (CID 66056676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).