N-ethyl-3-[4-(2-fluorocyclohexyl)phenyl]-N-(2-phenylethyl)propan-1-amine

C25H34FN — CID 70241559

IUPACN-ethyl-3-[4-(2-fluorocyclohexyl)phenyl]-N-(2-phenylethyl)propan-1-amine
SMILESCCN(CCCc1ccc(C2CCCCC2F)cc1)CCc1ccccc1
InChIInChI=1S/C25H34FN/c1-2-27(20-18-21-9-4-3-5-10-21)19-8-11-22-14-16-23(17-15-22)24-12-6-7-13-25(24)26/h3-5,9-10,14-17,24-25H,2,6-8,11-13,18-20H2,1H3
InChIKeyLPKXLXXPVWTFDW-UHFFFAOYSA-N
MW367.55 g/mol
LogP6.18
Rot. Bonds9

About N-ethyl-3-[4-(2-fluorocyclohexyl)phenyl]-N-(2-phenylethyl)propan-1-amine

N-ethyl-3-[4-(2-fluorocyclohexyl)phenyl]-N-(2-phenylethyl)propan-1-amine (PubChem CID 70241559) has the molecular formula C25H34FN and a molecular weight of 367.55 g/mol. Its IUPAC name is N-ethyl-3-[4-(2-fluorocyclohexyl)phenyl]-N-(2-phenylethyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[4-(2-fluorocyclohexyl)phenyl]-N-(2-phenylethyl)propan-1-amine
PubChem CID70241559
Molecular FormulaC25H34FN
Molecular Weight367.55 g/mol
Exact Mass367.27
IUPAC NameN-ethyl-3-[4-(2-fluorocyclohexyl)phenyl]-N-(2-phenylethyl)propan-1-amine
SMILESCCN(CCCc1ccc(C2CCCCC2F)cc1)CCc1ccccc1
InChIInChI=1S/C25H34FN/c1-2-27(20-18-21-9-4-3-5-10-21)19-8-11-22-14-16-23(17-15-22)24-12-6-7-13-25(24)26/h3-5,9-10,14-17,24-25H,2,6-8,11-13,18-20H2,1H3
InChIKeyLPKXLXXPVWTFDW-UHFFFAOYSA-N
XLogP6.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.55
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-N-ethyl-3-[4-(2-fluorocyclopentyl)phenyl]propan-1-amine
CID 70244066
3-[4-(3,4-difluorocyclohexyl)phenyl]-N-ethyl-N-(2-phenylethyl)propan-1-amine
CID 70242028
N-(2-phenylethyl)-N-propyl-3-[4-[2-(trifluoromethyl)cyclohexyl]phenyl]propan-1-amine
CID 70242553
acetonitrile;N-benzyl-3-[4-(2-fluorocyclohexyl)phenyl]-N-methylpropan-1-amine
CID 70243217
3-[4-(2,3-difluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpropan-1-amine
CID 70242607
acetonitrile;3-[4-(2,6-difluorocyclohexyl)phenyl]-N-(2-phenylethyl)-N-propylpropan-1-amine
CID 70243785
N-benzyl-N-ethyl-3-[4-[2-(trifluoromethyl)cyclopropyl]phenyl]propan-1-amine
CID 70244102
N-benzyl-4-[4-(2-fluorocyclohexyl)phenyl]-N-propylbutan-2-amine
CID 70243837
3-[4-(2-fluorocyclopropyl)phenyl]-N-methyl-N-(2-phenylethyl)propan-1-amine
CID 70243797
N-benzyl-N-ethyl-3-[4-(3-fluorocyclopentyl)phenyl]propan-1-amine
CID 70241767
N,N-diethyl-3-phenylpropan-1-amine;hydrate
CID 172794416
N-(cyclopropylmethyl)-N-ethyl-3-phenylpropan-1-amine
CID 102476941

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[4-(2-fluorocyclohexyl)phenyl]-N-(2-phenylethyl)propan-1-amine?
The IUPAC name of N-ethyl-3-[4-(2-fluorocyclohexyl)phenyl]-N-(2-phenylethyl)propan-1-amine (CID 70241559) is N-ethyl-3-[4-(2-fluorocyclohexyl)phenyl]-N-(2-phenylethyl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-[4-(2-fluorocyclohexyl)phenyl]-N-(2-phenylethyl)propan-1-amine?
The canonical SMILES for N-ethyl-3-[4-(2-fluorocyclohexyl)phenyl]-N-(2-phenylethyl)propan-1-amine is CCN(CCCc1ccc(C2CCCCC2F)cc1)CCc1ccccc1.
What is the InChIKey of N-ethyl-3-[4-(2-fluorocyclohexyl)phenyl]-N-(2-phenylethyl)propan-1-amine?
The InChIKey is LPKXLXXPVWTFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN/c1-2-27(20-18-21-9-4-3-5-10-21)19-8-11-22-14-16-23(17-15-22)24-12-6-7-13-25(24)26/h3-5,9-10,14-17,24-25H,2,6-8,11-13,18-20H2,1H3.
What are the key properties of N-ethyl-3-[4-(2-fluorocyclohexyl)phenyl]-N-(2-phenylethyl)propan-1-amine?
N-ethyl-3-[4-(2-fluorocyclohexyl)phenyl]-N-(2-phenylethyl)propan-1-amine has a molecular weight of 367.55 g/mol, XLogP of 6.18, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[4-(2-fluorocyclohexyl)phenyl]-N-(2-phenylethyl)propan-1-amine is sourced from PubChem (CID 70241559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).