1-cyclopropyl-N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]methanamine

C18H20FNO — CID 72943652

IUPAC1-cyclopropyl-N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]methanamine
SMILESCOc1cc(F)ccc1-c1cccc(CNCC2CC2)c1
InChIInChI=1S/C18H20FNO/c1-21-18-10-16(19)7-8-17(18)15-4-2-3-14(9-15)12-20-11-13-5-6-13/h2-4,7-10,13,20H,5-6,11-12H2,1H3
InChIKeyLEFDDNFTDCNRFV-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.00
Rot. Bonds6

About 1-cyclopropyl-N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]methanamine

1-cyclopropyl-N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]methanamine (PubChem CID 72943652) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]methanamine
PubChem CID72943652
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-cyclopropyl-N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]methanamine
SMILESCOc1cc(F)ccc1-c1cccc(CNCC2CC2)c1
InChIInChI=1S/C18H20FNO/c1-21-18-10-16(19)7-8-17(18)15-4-2-3-14(9-15)12-20-11-13-5-6-13/h2-4,7-10,13,20H,5-6,11-12H2,1H3
InChIKeyLEFDDNFTDCNRFV-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]methanamine
CID 72943649
N-[[3-(2-methoxyphenyl)phenyl]methyl]ethanamine
CID 54911742
4-[[(5-fluoro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213425
N-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 54911743
N-[[3-(2,4-dimethoxyphenyl)phenyl]methyl]propan-1-amine
CID 61034037
N-ethyl-3-(4-fluoro-2-methoxyphenyl)benzamide
CID 56709113
1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine
CID 43298537
1-(3-chlorocyclopentyl)-N-[(3-methoxyphenyl)methyl]methanamine
CID 106121121
4-(3-fluorophenyl)-3-methoxyaniline
CID 82106976
3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 106129789
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
1-(cyclopropylmethyl)-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 111869556

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]methanamine (CID 72943652) is 1-cyclopropyl-N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]methanamine is COc1cc(F)ccc1-c1cccc(CNCC2CC2)c1.
What is the InChIKey of 1-cyclopropyl-N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]methanamine?
The InChIKey is LEFDDNFTDCNRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-21-18-10-16(19)7-8-17(18)15-4-2-3-14(9-15)12-20-11-13-5-6-13/h2-4,7-10,13,20H,5-6,11-12H2,1H3.
What are the key properties of 1-cyclopropyl-N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]methanamine?
1-cyclopropyl-N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]methanamine has a molecular weight of 285.36 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[3-(4-fluoro-2-methoxyphenyl)phenyl]methyl]methanamine is sourced from PubChem (CID 72943652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).