1-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N,N-dimethylpyrrolidin-3-amine

C17H27N3 — CID 63165022

IUPAC1-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCc1cc(CNC2CC2)ccc1N1CCC(N(C)C)C1
InChIInChI=1S/C17H27N3/c1-13-10-14(11-18-15-5-6-15)4-7-17(13)20-9-8-16(12-20)19(2)3/h4,7,10,15-16,18H,5-6,8-9,11-12H2,1-3H3
InChIKeyPVAJNMZKJBNCGJ-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.39
Rot. Bonds5

About 1-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N,N-dimethylpyrrolidin-3-amine

1-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63165022) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID63165022
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCc1cc(CNC2CC2)ccc1N1CCC(N(C)C)C1
InChIInChI=1S/C17H27N3/c1-13-10-14(11-18-15-5-6-15)4-7-17(13)20-9-8-16(12-20)19(2)3/h4,7,10,15-16,18H,5-6,8-9,11-12H2,1-3H3
InChIKeyPVAJNMZKJBNCGJ-UHFFFAOYSA-N
XLogP2.39
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(3-methoxypyrrolidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine
CID 103535835
N-[[4-(4,4-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine
CID 62932457
N-[[3-methyl-4-(4-propylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 63552895
N-[[3-methyl-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
CID 63634476
1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 80637058
[4-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-6-methylmorpholin-2-yl]methanol
CID 102933693
1-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 81247494
N-[[4-(2,3-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine
CID 62125029
1-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-3-amine
CID 114852089
1-[4-(aminomethyl)-2-methylphenyl]-N,N-diethylpyrrolidin-3-amine
CID 55219788
N,N-dimethyl-1-(2-methyl-4-nitrophenyl)pyrrolidin-3-amine
CID 133328070
4-methyl-1-[2-methyl-4-(methylaminomethyl)phenyl]piperidin-3-ol
CID 102960910

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N,N-dimethylpyrrolidin-3-amine (CID 63165022) is 1-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N,N-dimethylpyrrolidin-3-amine is Cc1cc(CNC2CC2)ccc1N1CCC(N(C)C)C1.
What is the InChIKey of 1-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is PVAJNMZKJBNCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-13-10-14(11-18-15-5-6-15)4-7-17(13)20-9-8-16(12-20)19(2)3/h4,7,10,15-16,18H,5-6,8-9,11-12H2,1-3H3.
What are the key properties of 1-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N,N-dimethylpyrrolidin-3-amine?
1-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 273.42 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63165022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).