N-methyl-2-phenyl-5-thiophen-2-ylpentan-1-amine

C16H21NS — CID 81023830

IUPACN-methyl-2-phenyl-5-thiophen-2-ylpentan-1-amine
SMILESCNCC(CCCc1cccs1)c1ccccc1
InChIInChI=1S/C16H21NS/c1-17-13-15(14-7-3-2-4-8-14)9-5-10-16-11-6-12-18-16/h2-4,6-8,11-12,15,17H,5,9-10,13H2,1H3
InChIKeySRCGWIYDAJEMQP-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.07
Rot. Bonds7

About N-methyl-2-phenyl-5-thiophen-2-ylpentan-1-amine

N-methyl-2-phenyl-5-thiophen-2-ylpentan-1-amine (PubChem CID 81023830) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-methyl-2-phenyl-5-thiophen-2-ylpentan-1-amine.

Molecular Properties

Compound NameN-methyl-2-phenyl-5-thiophen-2-ylpentan-1-amine
PubChem CID81023830
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC NameN-methyl-2-phenyl-5-thiophen-2-ylpentan-1-amine
SMILESCNCC(CCCc1cccs1)c1ccccc1
InChIInChI=1S/C16H21NS/c1-17-13-15(14-7-3-2-4-8-14)9-5-10-16-11-6-12-18-16/h2-4,6-8,11-12,15,17H,5,9-10,13H2,1H3
InChIKeySRCGWIYDAJEMQP-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-propyl-5-thiophen-2-ylpentan-1-amine
CID 81024076
2-phenyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine
CID 65430973
N,N'-dimethyl-1-phenyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494234
N-methyl-2-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 79436154
2-benzyl-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 63775568
N-methyl-1-phenyl-6-thiophen-2-ylhexan-3-amine
CID 105094221
N-methyl-5-(2-methylpyrazol-3-yl)-2-phenylpentan-1-amine
CID 103019984
methyl (2S)-2-phenyl-5-thiophen-2-ylpentanoate
CID 134951408
5-methoxy-N-methyl-2-phenylpentan-1-amine
CID 65430583
2-phenyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
CID 65430414
N-methyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine
CID 70494547
N-methyl-6-phenyl-1-thiophen-2-ylhexan-3-amine
CID 105150151

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-5-thiophen-2-ylpentan-1-amine?
The IUPAC name of N-methyl-2-phenyl-5-thiophen-2-ylpentan-1-amine (CID 81023830) is N-methyl-2-phenyl-5-thiophen-2-ylpentan-1-amine.
What is the SMILES notation for N-methyl-2-phenyl-5-thiophen-2-ylpentan-1-amine?
The canonical SMILES for N-methyl-2-phenyl-5-thiophen-2-ylpentan-1-amine is CNCC(CCCc1cccs1)c1ccccc1.
What is the InChIKey of N-methyl-2-phenyl-5-thiophen-2-ylpentan-1-amine?
The InChIKey is SRCGWIYDAJEMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-17-13-15(14-7-3-2-4-8-14)9-5-10-16-11-6-12-18-16/h2-4,6-8,11-12,15,17H,5,9-10,13H2,1H3.
What are the key properties of N-methyl-2-phenyl-5-thiophen-2-ylpentan-1-amine?
N-methyl-2-phenyl-5-thiophen-2-ylpentan-1-amine has a molecular weight of 259.42 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-5-thiophen-2-ylpentan-1-amine is sourced from PubChem (CID 81023830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).