(2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine

C15H19NS — CID 28667748

IUPAC(2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine
SMILESC[C@H](CCc1ccccc1)NCc1ccsc1
InChIInChI=1S/C15H19NS/c1-13(16-11-15-9-10-17-12-15)7-8-14-5-3-2-4-6-14/h2-6,9-10,12-13,16H,7-8,11H2,1H3/t13-/m1/s1
InChIKeyAITZJIIGABQHON-CYBMUJFWSA-N
MW245.39 g/mol
LogP3.86
Rot. Bonds6

About (2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine

(2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine (PubChem CID 28667748) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is (2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name(2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine
PubChem CID28667748
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name(2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine
SMILESC[C@H](CCc1ccccc1)NCc1ccsc1
InChIInChI=1S/C15H19NS/c1-13(16-11-15-9-10-17-12-15)7-8-14-5-3-2-4-6-14/h2-6,9-10,12-13,16H,7-8,11H2,1H3/t13-/m1/s1
InChIKeyAITZJIIGABQHON-CYBMUJFWSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(thiophen-3-ylmethylamino)butyl]phenol
CID 43746689
4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 43182405
1-chloro-N-(thiophen-3-ylmethyl)propan-2-amine
CID 65025507
(2R)-N-[(4-bromothiophen-2-yl)methyl]-4-phenylbutan-2-amine
CID 28833188
N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine
CID 17211073
N-benzyl-4-(4-fluorophenyl)butan-2-amine
CID 21331650
N-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine
CID 115623663
4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride
CID 17206485
4-[3-(2-thiophen-3-ylethylamino)butyl]phenol
CID 61475292
N-methyl-4-phenyl-1-thiophen-3-ylbutan-2-amine
CID 61078547
N-(4-phenylbutan-2-yl)thiophene-3-carboxamide
CID 78803823
1-N,1-N-diethyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine
CID 43178391

Frequently Asked Questions

What is the IUPAC name of (2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine?
The IUPAC name of (2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine (CID 28667748) is (2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine.
What is the SMILES notation for (2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine?
The canonical SMILES for (2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine is C[C@H](CCc1ccccc1)NCc1ccsc1.
What is the InChIKey of (2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine?
The InChIKey is AITZJIIGABQHON-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19NS/c1-13(16-11-15-9-10-17-12-15)7-8-14-5-3-2-4-6-14/h2-6,9-10,12-13,16H,7-8,11H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine?
(2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine has a molecular weight of 245.39 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine is sourced from PubChem (CID 28667748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).