N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]cycloheptanamine

C18H22FNS — CID 63420419

IUPACN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]cycloheptanamine
SMILESFc1ccc(CNC2CCCCCC2)cc1-c1cccs1
InChIInChI=1S/C18H22FNS/c19-17-10-9-14(12-16(17)18-8-5-11-21-18)13-20-15-6-3-1-2-4-7-15/h5,8-12,15,20H,1-4,6-7,13H2
InChIKeyQXLADAYZMBWYLA-UHFFFAOYSA-N
MW303.45 g/mol
LogP5.37
Rot. Bonds4

About N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]cycloheptanamine

N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]cycloheptanamine (PubChem CID 63420419) has the molecular formula C18H22FNS and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]cycloheptanamine
PubChem CID63420419
Molecular FormulaC18H22FNS
Molecular Weight303.45 g/mol
Exact Mass303.15
IUPAC NameN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]cycloheptanamine
SMILESFc1ccc(CNC2CCCCCC2)cc1-c1cccs1
InChIInChI=1S/C18H22FNS/c19-17-10-9-14(12-16(17)18-8-5-11-21-18)13-20-15-6-3-1-2-4-7-15/h5,8-12,15,20H,1-4,6-7,13H2
InChIKeyQXLADAYZMBWYLA-UHFFFAOYSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]cyclohexan-1-ol
CID 62358495
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methyloxan-4-amine
CID 103887823
4-chloro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline
CID 63422472
N-[[3-(1-benzothiophen-7-yl)-4-fluorophenyl]methyl]cyclopropanamine
CID 81128764
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylpiperazin-1-amine
CID 83010258
2-(cyclopenten-1-yl)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]ethanamine
CID 106169126
N-ethoxy-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine
CID 82709130
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylaniline
CID 63420445
4-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]phenol
CID 61103429
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine
CID 71890514
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656201

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]cycloheptanamine?
The IUPAC name of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]cycloheptanamine (CID 63420419) is N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]cycloheptanamine.
What is the SMILES notation for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]cycloheptanamine?
The canonical SMILES for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]cycloheptanamine is Fc1ccc(CNC2CCCCCC2)cc1-c1cccs1.
What is the InChIKey of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]cycloheptanamine?
The InChIKey is QXLADAYZMBWYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNS/c19-17-10-9-14(12-16(17)18-8-5-11-21-18)13-20-15-6-3-1-2-4-7-15/h5,8-12,15,20H,1-4,6-7,13H2.
What are the key properties of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]cycloheptanamine?
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]cycloheptanamine has a molecular weight of 303.45 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]cycloheptanamine is sourced from PubChem (CID 63420419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).