N-[(2-chloro-5-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine

C17H19ClFNO — CID 105394631

IUPACN-[(2-chloro-5-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1Cl)c1ccccc1OC
InChIInChI=1S/C17H19ClFNO/c1-3-10-20-17(13-6-4-5-7-16(13)21-2)14-11-12(19)8-9-15(14)18/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyUHKDUQNVGIQXDU-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.58
Rot. Bonds6

About N-[(2-chloro-5-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine

N-[(2-chloro-5-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine (PubChem CID 105394631) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
PubChem CID105394631
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC NameN-[(2-chloro-5-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1Cl)c1ccccc1OC
InChIInChI=1S/C17H19ClFNO/c1-3-10-20-17(13-6-4-5-7-16(13)21-2)14-11-12(19)8-9-15(14)18/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyUHKDUQNVGIQXDU-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 105397398
N-[(2-chloro-5-fluorophenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 105397260
N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 63419716
N-[(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 62945872
N-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 105397127
N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115793334
N-[(3-chlorothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]propan-1-amine
CID 80645045
N-[(2-fluoro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 62790493
N-[(2-chlorophenyl)-(2-ethoxyphenyl)methyl]propan-1-amine
CID 63415844
N-[(4-chloro-3-methoxyphenyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 79699083
N-[(2-chloro-5-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923966
N-[(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 106645250

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine (CID 105394631) is N-[(2-chloro-5-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine is CCCNC(c1cc(F)ccc1Cl)c1ccccc1OC.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is UHKDUQNVGIQXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-3-10-20-17(13-6-4-5-7-16(13)21-2)14-11-12(19)8-9-15(14)18/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of N-[(2-chloro-5-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine?
N-[(2-chloro-5-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 307.80 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 105394631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).