N-[(4-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine

C17H25ClFNO — CID 116762384

IUPACN-[(4-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1F)C1(OCC)CCCC1
InChIInChI=1S/C17H25ClFNO/c1-3-11-20-16(14-8-7-13(18)12-15(14)19)17(21-4-2)9-5-6-10-17/h7-8,12,16,20H,3-6,9-11H2,1-2H3
InChIKeyGOIPIIQXBGTRFL-UHFFFAOYSA-N
MW313.84 g/mol
LogP4.87
Rot. Bonds7

About N-[(4-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine

N-[(4-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine (PubChem CID 116762384) has the molecular formula C17H25ClFNO and a molecular weight of 313.84 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine
PubChem CID116762384
Molecular FormulaC17H25ClFNO
Molecular Weight313.84 g/mol
Exact Mass313.16
IUPAC NameN-[(4-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1F)C1(OCC)CCCC1
InChIInChI=1S/C17H25ClFNO/c1-3-11-20-16(14-8-7-13(18)12-15(14)19)17(21-4-2)9-5-6-10-17/h7-8,12,16,20H,3-6,9-11H2,1-2H3
InChIKeyGOIPIIQXBGTRFL-UHFFFAOYSA-N
XLogP4.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.84
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276350
N-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine
CID 116764229
N-[(2,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine
CID 116762398
(4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753618
N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 116762445
N-[(1-ethoxycyclopentyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 116762310
N-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine
CID 116764251
N-[(1-ethoxycyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 116762140
N-[(3-chlorophenyl)-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 116766029
N-[(1-ethoxycycloheptyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102834029
N-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine
CID 116764179
[(4-chloro-2-fluorophenyl)-(1-methoxycyclopentyl)methyl]hydrazine
CID 105268763

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine (CID 116762384) is N-[(4-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)cc1F)C1(OCC)CCCC1.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine?
The InChIKey is GOIPIIQXBGTRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFNO/c1-3-11-20-16(14-8-7-13(18)12-15(14)19)17(21-4-2)9-5-6-10-17/h7-8,12,16,20H,3-6,9-11H2,1-2H3.
What are the key properties of N-[(4-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine?
N-[(4-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine has a molecular weight of 313.84 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 116762384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).