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

C17H25FN2O — CID 106604286

IUPAC1-cyclopropyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
SMILESCOc1ccc(CN(CC2CC2)CC2CCCN2)cc1F
InChIInChI=1S/C17H25FN2O/c1-21-17-7-6-14(9-16(17)18)11-20(10-13-4-5-13)12-15-3-2-8-19-15/h6-7,9,13,15,19H,2-5,8,10-12H2,1H3
InChIKeyQVSCTCGYYFUAFA-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.80
Rot. Bonds7

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

1-cyclopropyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine (PubChem CID 106604286) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
PubChem CID106604286
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name1-cyclopropyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
SMILESCOc1ccc(CN(CC2CC2)CC2CCCN2)cc1F
InChIInChI=1S/C17H25FN2O/c1-21-17-7-6-14(9-16(17)18)11-20(10-13-4-5-13)12-15-3-2-8-19-15/h6-7,9,13,15,19H,2-5,8,10-12H2,1H3
InChIKeyQVSCTCGYYFUAFA-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604588
2-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 115208444
5-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-2-fluorobenzonitrile
CID 107883167
1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604413
N-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605289
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106614885
N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106616244
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815646
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615580
2-(3-fluoro-4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119509889
2-methoxy-4-[[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106606311
N-[(5-bromo-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603284

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine?
The IUPAC name of 1-cyclopropyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine (CID 106604286) is 1-cyclopropyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine?
The canonical SMILES for 1-cyclopropyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine is COc1ccc(CN(CC2CC2)CC2CCCN2)cc1F.
What is the InChIKey of 1-cyclopropyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine?
The InChIKey is QVSCTCGYYFUAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-21-17-7-6-14(9-16(17)18)11-20(10-13-4-5-13)12-15-3-2-8-19-15/h6-7,9,13,15,19H,2-5,8,10-12H2,1H3.
What are the key properties of 1-cyclopropyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine?
1-cyclopropyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine has a molecular weight of 292.40 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine is sourced from PubChem (CID 106604286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).