1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine

C18H22FNO — CID 79723526

IUPAC1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(NC)c2ccc(F)c(C)c2)c1
InChIInChI=1S/C18H22FNO/c1-4-10-21-16-7-5-6-14(12-16)18(20-3)15-8-9-17(19)13(2)11-15/h5-9,11-12,18,20H,4,10H2,1-3H3
InChIKeyJIDLGJKYQWFYCG-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.23
Rot. Bonds6

About 1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine

1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine (PubChem CID 79723526) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
PubChem CID79723526
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(NC)c2ccc(F)c(C)c2)c1
InChIInChI=1S/C18H22FNO/c1-4-10-21-16-7-5-6-14(12-16)18(20-3)15-8-9-17(19)13(2)11-15/h5-9,11-12,18,20H,4,10H2,1-3H3
InChIKeyJIDLGJKYQWFYCG-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 62919848
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 107561661
N-methyl-1-(2-methylphenyl)-1-(3-propoxyphenyl)methanamine
CID 115794851
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 60930098
1-(3-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 62795601
1-[bromo-(3-propoxyphenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 79724079
1-(5-ethylfuran-2-yl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 62920362
1-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 105025977
1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 60864424
N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
(3,4-difluorophenyl)-(3-propoxyphenyl)methanamine
CID 62920523

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine (CID 79723526) is 1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine is CCCOc1cccc(C(NC)c2ccc(F)c(C)c2)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine?
The InChIKey is JIDLGJKYQWFYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-10-21-16-7-5-6-14(12-16)18(20-3)15-8-9-17(19)13(2)11-15/h5-9,11-12,18,20H,4,10H2,1-3H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine?
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine has a molecular weight of 287.38 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine is sourced from PubChem (CID 79723526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).