1-[[3-(1-methylpyrrolidin-3-yl)phenyl]methyl]cyclopropan-1-amine

C15H22N2 — CID 117333062

IUPAC1-[[3-(1-methylpyrrolidin-3-yl)phenyl]methyl]cyclopropan-1-amine
SMILESCN1CCC(c2cccc(CC3(N)CC3)c2)C1
InChIInChI=1S/C15H22N2/c1-17-8-5-14(11-17)13-4-2-3-12(9-13)10-15(16)6-7-15/h2-4,9,14H,5-8,10-11,16H2,1H3
InChIKeyHNFFSYXSZSSQQQ-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.14
Rot. Bonds3

About 1-[[3-(1-methylpyrrolidin-3-yl)phenyl]methyl]cyclopropan-1-amine

1-[[3-(1-methylpyrrolidin-3-yl)phenyl]methyl]cyclopropan-1-amine (PubChem CID 117333062) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-[[3-(1-methylpyrrolidin-3-yl)phenyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[3-(1-methylpyrrolidin-3-yl)phenyl]methyl]cyclopropan-1-amine
PubChem CID117333062
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-[[3-(1-methylpyrrolidin-3-yl)phenyl]methyl]cyclopropan-1-amine
SMILESCN1CCC(c2cccc(CC3(N)CC3)c2)C1
InChIInChI=1S/C15H22N2/c1-17-8-5-14(11-17)13-4-2-3-12(9-13)10-15(16)6-7-15/h2-4,9,14H,5-8,10-11,16H2,1H3
InChIKeyHNFFSYXSZSSQQQ-UHFFFAOYSA-N
XLogP2.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

O-[2-[3-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine
CID 117314821
1-[(3-cyclohexylphenyl)methyl]cyclopropan-1-amine
CID 117331180
2-methyl-3-[3-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine
CID 116988517
1-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-amine
CID 117363380
[4-[3-(1-methylpyrrolidin-3-yl)phenyl]phenyl]methanamine
CID 116988532
3-[3-(azetidin-3-yl)phenyl]-1-methylpyrrolidine
CID 116988525
CID 176580102
CID 176580102
CID 176580101
CID 176580101
1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 18722940
3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine
CID 117337018
2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanamine
CID 115032201
2-methyl-4-[3-(1-methylpiperidin-3-yl)phenyl]butan-2-amine
CID 116988801

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(1-methylpyrrolidin-3-yl)phenyl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[3-(1-methylpyrrolidin-3-yl)phenyl]methyl]cyclopropan-1-amine (CID 117333062) is 1-[[3-(1-methylpyrrolidin-3-yl)phenyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[3-(1-methylpyrrolidin-3-yl)phenyl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[3-(1-methylpyrrolidin-3-yl)phenyl]methyl]cyclopropan-1-amine is CN1CCC(c2cccc(CC3(N)CC3)c2)C1.
What is the InChIKey of 1-[[3-(1-methylpyrrolidin-3-yl)phenyl]methyl]cyclopropan-1-amine?
The InChIKey is HNFFSYXSZSSQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-17-8-5-14(11-17)13-4-2-3-12(9-13)10-15(16)6-7-15/h2-4,9,14H,5-8,10-11,16H2,1H3.
What are the key properties of 1-[[3-(1-methylpyrrolidin-3-yl)phenyl]methyl]cyclopropan-1-amine?
1-[[3-(1-methylpyrrolidin-3-yl)phenyl]methyl]cyclopropan-1-amine has a molecular weight of 230.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(1-methylpyrrolidin-3-yl)phenyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 117333062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).