N-[(5-phenylthiophen-2-yl)methyl]octan-2-amine

C19H27NS — CID 43223060

IUPACN-[(5-phenylthiophen-2-yl)methyl]octan-2-amine
SMILESCCCCCCC(C)NCc1ccc(-c2ccccc2)s1
InChIInChI=1S/C19H27NS/c1-3-4-5-7-10-16(2)20-15-18-13-14-19(21-18)17-11-8-6-9-12-17/h6,8-9,11-14,16,20H,3-5,7,10,15H2,1-2H3
InChIKeyOVVGQAMNQGHBQJ-UHFFFAOYSA-N
MW301.50 g/mol
LogP5.86
Rot. Bonds9

About N-[(5-phenylthiophen-2-yl)methyl]octan-2-amine

N-[(5-phenylthiophen-2-yl)methyl]octan-2-amine (PubChem CID 43223060) has the molecular formula C19H27NS and a molecular weight of 301.50 g/mol. Its IUPAC name is N-[(5-phenylthiophen-2-yl)methyl]octan-2-amine.

Molecular Properties

Compound NameN-[(5-phenylthiophen-2-yl)methyl]octan-2-amine
PubChem CID43223060
Molecular FormulaC19H27NS
Molecular Weight301.50 g/mol
Exact Mass301.19
IUPAC NameN-[(5-phenylthiophen-2-yl)methyl]octan-2-amine
SMILESCCCCCCC(C)NCc1ccc(-c2ccccc2)s1
InChIInChI=1S/C19H27NS/c1-3-4-5-7-10-16(2)20-15-18-13-14-19(21-18)17-11-8-6-9-12-17/h6,8-9,11-14,16,20H,3-5,7,10,15H2,1-2H3
InChIKeyOVVGQAMNQGHBQJ-UHFFFAOYSA-N
XLogP5.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.50
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(5-phenylthiophen-2-yl)methylamino]butan-1-ol
CID 78998187
N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43213873
N-[(5-bromothiophen-2-yl)methyl]heptan-2-amine
CID 43399889
2-methyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-3-amine
CID 55191795
3-ethyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-2-amine
CID 63843620
5-[(heptan-2-ylamino)methyl]thiophene-2-carboxylic acid
CID 103247320
1-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222571
N-benzylnonadecan-2-amine;hydrochloride
CID 173191574
(2R)-N-benzylheptan-2-amine
CID 14923313
5-[(heptan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675332
N-[(5-phenylthiophen-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 63453731
1-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 119126800

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenylthiophen-2-yl)methyl]octan-2-amine?
The IUPAC name of N-[(5-phenylthiophen-2-yl)methyl]octan-2-amine (CID 43223060) is N-[(5-phenylthiophen-2-yl)methyl]octan-2-amine.
What is the SMILES notation for N-[(5-phenylthiophen-2-yl)methyl]octan-2-amine?
The canonical SMILES for N-[(5-phenylthiophen-2-yl)methyl]octan-2-amine is CCCCCCC(C)NCc1ccc(-c2ccccc2)s1.
What is the InChIKey of N-[(5-phenylthiophen-2-yl)methyl]octan-2-amine?
The InChIKey is OVVGQAMNQGHBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NS/c1-3-4-5-7-10-16(2)20-15-18-13-14-19(21-18)17-11-8-6-9-12-17/h6,8-9,11-14,16,20H,3-5,7,10,15H2,1-2H3.
What are the key properties of N-[(5-phenylthiophen-2-yl)methyl]octan-2-amine?
N-[(5-phenylthiophen-2-yl)methyl]octan-2-amine has a molecular weight of 301.50 g/mol, XLogP of 5.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenylthiophen-2-yl)methyl]octan-2-amine is sourced from PubChem (CID 43223060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).