N-[(4-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine

C15H21ClFNO — CID 105022561

IUPACN-[(4-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1F)C1OCCC1C
InChIInChI=1S/C15H21ClFNO/c1-3-7-18-14(15-10(2)6-8-19-15)12-5-4-11(16)9-13(12)17/h4-5,9-10,14-15,18H,3,6-8H2,1-2H3
InChIKeyLFYKFCVEQULBFE-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.94
Rot. Bonds5

About N-[(4-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine

N-[(4-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine (PubChem CID 105022561) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
PubChem CID105022561
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC NameN-[(4-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1F)C1OCCC1C
InChIInChI=1S/C15H21ClFNO/c1-3-7-18-14(15-10(2)6-8-19-15)12-5-4-11(16)9-13(12)17/h4-5,9-10,14-15,18H,3,6-8H2,1-2H3
InChIKeyLFYKFCVEQULBFE-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 107516032
N-[(2-fluoro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105024939
N-[(3,5-dimethoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105013583
N-[2-(2,4-difluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115824180
N-[isoquinolin-4-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 115856200
N-[1-benzothiophen-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105021865
N-[(4-chloro-2-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 63936493
1-(4-chloro-2-fluorophenyl)-1-(2-ethyloxolan-3-yl)-N-methylmethanamine
CID 114104480
N-[(5-chloro-1-benzofuran-2-yl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 105045848
N-[(3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 115785515
N-[(2,4-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177529
N-[(2-fluoro-5-methylphenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 115852879

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine (CID 105022561) is N-[(4-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)cc1F)C1OCCC1C.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine?
The InChIKey is LFYKFCVEQULBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-3-7-18-14(15-10(2)6-8-19-15)12-5-4-11(16)9-13(12)17/h4-5,9-10,14-15,18H,3,6-8H2,1-2H3.
What are the key properties of N-[(4-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine?
N-[(4-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine has a molecular weight of 285.79 g/mol, XLogP of 3.94, 5 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)-(3-methyloxolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105022561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).