N-[(3-chloro-5-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine

C18H21ClFN — CID 105016393

IUPACN-[(3-chloro-5-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(F)c1)c1cc(C)cc(Cl)c1
InChIInChI=1S/C18H21ClFN/c1-4-5-21-18(14-6-12(2)8-16(19)10-14)15-7-13(3)9-17(20)11-15/h6-11,18,21H,4-5H2,1-3H3
InChIKeyIMPYIZNHEVYTEI-UHFFFAOYSA-N
MW305.82 g/mol
LogP5.18
Rot. Bonds5

About N-[(3-chloro-5-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine

N-[(3-chloro-5-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine (PubChem CID 105016393) has the molecular formula C18H21ClFN and a molecular weight of 305.82 g/mol. Its IUPAC name is N-[(3-chloro-5-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-5-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
PubChem CID105016393
Molecular FormulaC18H21ClFN
Molecular Weight305.82 g/mol
Exact Mass305.13
IUPAC NameN-[(3-chloro-5-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(F)c1)c1cc(C)cc(Cl)c1
InChIInChI=1S/C18H21ClFN/c1-4-5-21-18(14-6-12(2)8-16(19)10-14)15-7-13(3)9-17(20)11-15/h6-11,18,21H,4-5H2,1-3H3
InChIKeyIMPYIZNHEVYTEI-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.82
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 79705264
N-[(3,5-dichlorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 105016496
N-[(3-chloro-5-methylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991233
N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 79704331
N-[(3-chloro-5-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine
CID 105018545
N-[(3,5-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 107130464
N-[(3-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81273573
N-[(4-chloro-3-fluorophenyl)-(3,5-dimethylphenyl)methyl]propan-1-amine
CID 107992020
N-[(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methyl]propan-1-amine
CID 81323088
N-[(5-chloro-2-fluorophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 114886624
[(3,5-dichlorophenyl)-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105325316
N-[(3-chloro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792668

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chloro-5-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine (CID 105016393) is N-[(3-chloro-5-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chloro-5-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chloro-5-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine is CCCNC(c1cc(C)cc(F)c1)c1cc(C)cc(Cl)c1.
What is the InChIKey of N-[(3-chloro-5-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine?
The InChIKey is IMPYIZNHEVYTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN/c1-4-5-21-18(14-6-12(2)8-16(19)10-14)15-7-13(3)9-17(20)11-15/h6-11,18,21H,4-5H2,1-3H3.
What are the key properties of N-[(3-chloro-5-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine?
N-[(3-chloro-5-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine has a molecular weight of 305.82 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 105016393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).