4-(3-methylphenyl)-N-(thiophen-2-ylmethyl)butan-2-amine

C16H21NS — CID 61169939

IUPAC4-(3-methylphenyl)-N-(thiophen-2-ylmethyl)butan-2-amine
SMILESCc1cccc(CCC(C)NCc2cccs2)c1
InChIInChI=1S/C16H21NS/c1-13-5-3-6-15(11-13)9-8-14(2)17-12-16-7-4-10-18-16/h3-7,10-11,14,17H,8-9,12H2,1-2H3
InChIKeyXPZQBDPHVKMUFU-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.17
Rot. Bonds6

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

4-(3-methylphenyl)-N-(thiophen-2-ylmethyl)butan-2-amine (PubChem CID 61169939) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 4-(3-methylphenyl)-N-(thiophen-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-N-(thiophen-2-ylmethyl)butan-2-amine
PubChem CID61169939
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name4-(3-methylphenyl)-N-(thiophen-2-ylmethyl)butan-2-amine
SMILESCc1cccc(CCC(C)NCc2cccs2)c1
InChIInChI=1S/C16H21NS/c1-13-5-3-6-15(11-13)9-8-14(2)17-12-16-7-4-10-18-16/h3-7,10-11,14,17H,8-9,12H2,1-2H3
InChIKeyXPZQBDPHVKMUFU-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine
CID 63420838
N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-3-amine
CID 105150411
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
N-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 64680088
N-(furan-3-ylmethyl)-4-(3-methylphenyl)butan-2-amine
CID 115711448
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(3-methylphenyl)butan-2-amine
CID 63452623
4-(3-methylphenyl)-N-(pyridin-2-ylmethyl)butan-2-amine
CID 61171888
N-[(3,4-difluorophenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 63455010
4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine
CID 114615744
(2S)-N-(thiophen-2-ylmethyl)hex-5-en-2-amine
CID 97358797
N-(thiophen-2-ylmethyl)hept-6-en-2-amine
CID 115908870

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-N-(thiophen-2-ylmethyl)butan-2-amine?
The IUPAC name of 4-(3-methylphenyl)-N-(thiophen-2-ylmethyl)butan-2-amine (CID 61169939) is 4-(3-methylphenyl)-N-(thiophen-2-ylmethyl)butan-2-amine.
What is the SMILES notation for 4-(3-methylphenyl)-N-(thiophen-2-ylmethyl)butan-2-amine?
The canonical SMILES for 4-(3-methylphenyl)-N-(thiophen-2-ylmethyl)butan-2-amine is Cc1cccc(CCC(C)NCc2cccs2)c1.
What is the InChIKey of 4-(3-methylphenyl)-N-(thiophen-2-ylmethyl)butan-2-amine?
The InChIKey is XPZQBDPHVKMUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-13-5-3-6-15(11-13)9-8-14(2)17-12-16-7-4-10-18-16/h3-7,10-11,14,17H,8-9,12H2,1-2H3.
What are the key properties of 4-(3-methylphenyl)-N-(thiophen-2-ylmethyl)butan-2-amine?
4-(3-methylphenyl)-N-(thiophen-2-ylmethyl)butan-2-amine has a molecular weight of 259.42 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-N-(thiophen-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 61169939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).