N-[(4-bromothiophen-3-yl)-phenylmethyl]propan-1-amine

C14H16BrNS — CID 79595968

IUPACN-[(4-bromothiophen-3-yl)-phenylmethyl]propan-1-amine
SMILESCCCNC(c1ccccc1)c1cscc1Br
InChIInChI=1S/C14H16BrNS/c1-2-8-16-14(11-6-4-3-5-7-11)12-9-17-10-13(12)15/h3-7,9-10,14,16H,2,8H2,1H3
InChIKeyGROKKSHTVICXFF-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.60
Rot. Bonds5

About N-[(4-bromothiophen-3-yl)-phenylmethyl]propan-1-amine

N-[(4-bromothiophen-3-yl)-phenylmethyl]propan-1-amine (PubChem CID 79595968) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is N-[(4-bromothiophen-3-yl)-phenylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-3-yl)-phenylmethyl]propan-1-amine
PubChem CID79595968
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC NameN-[(4-bromothiophen-3-yl)-phenylmethyl]propan-1-amine
SMILESCCCNC(c1ccccc1)c1cscc1Br
InChIInChI=1S/C14H16BrNS/c1-2-8-16-14(11-6-4-3-5-7-11)12-9-17-10-13(12)15/h3-7,9-10,14,16H,2,8H2,1H3
InChIKeyGROKKSHTVICXFF-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromothiophen-3-yl)-(3,4-difluorophenyl)methyl]propan-1-amine
CID 79596511
N-[(3-bromo-4-methoxyphenyl)-(4-bromothiophen-3-yl)methyl]propan-1-amine
CID 105010525
N-[(4-bromothiophen-3-yl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 105010839
N-[(4-bromothiophen-3-yl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 105010601
N-[(4-bromothiophen-3-yl)-quinoxalin-6-ylmethyl]propan-1-amine
CID 79590361
N-[(4-bromothiophen-3-yl)-(3-chloro-5-methylphenyl)methyl]propan-1-amine
CID 105010546
N-[(4-bromothiophen-3-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]propan-1-amine
CID 105010416
N-[(4-bromothiophen-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
CID 105010828
N-[(4-bromothiophen-3-yl)-(2,3,4-trifluorophenyl)methyl]propan-1-amine
CID 105010456
N-[(4-bromothiophen-3-yl)-(3-chloro-4-pyridinyl)methyl]propan-1-amine
CID 105166826
N-[(4-bromo-2-fluorophenyl)-(4-bromothiophen-3-yl)methyl]propan-1-amine
CID 114906757
N-[(4-bromothiophen-3-yl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115530960

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-3-yl)-phenylmethyl]propan-1-amine?
The IUPAC name of N-[(4-bromothiophen-3-yl)-phenylmethyl]propan-1-amine (CID 79595968) is N-[(4-bromothiophen-3-yl)-phenylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromothiophen-3-yl)-phenylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-bromothiophen-3-yl)-phenylmethyl]propan-1-amine is CCCNC(c1ccccc1)c1cscc1Br.
What is the InChIKey of N-[(4-bromothiophen-3-yl)-phenylmethyl]propan-1-amine?
The InChIKey is GROKKSHTVICXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-2-8-16-14(11-6-4-3-5-7-11)12-9-17-10-13(12)15/h3-7,9-10,14,16H,2,8H2,1H3.
What are the key properties of N-[(4-bromothiophen-3-yl)-phenylmethyl]propan-1-amine?
N-[(4-bromothiophen-3-yl)-phenylmethyl]propan-1-amine has a molecular weight of 310.26 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-3-yl)-phenylmethyl]propan-1-amine is sourced from PubChem (CID 79595968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).