N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine

C17H22N2 — CID 116545401

IUPACN-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine
SMILESCNCc1cncc(-c2cccc(CC(C)C)c2)c1
InChIInChI=1S/C17H22N2/c1-13(2)7-14-5-4-6-16(8-14)17-9-15(10-18-3)11-19-12-17/h4-6,8-9,11-13,18H,7,10H2,1-3H3
InChIKeyMMLQNXPFOOTNQJ-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.67
Rot. Bonds5

About N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine

N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine (PubChem CID 116545401) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine
PubChem CID116545401
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine
SMILESCNCc1cncc(-c2cccc(CC(C)C)c2)c1
InChIInChI=1S/C17H22N2/c1-13(2)7-14-5-4-6-16(8-14)17-9-15(10-18-3)11-19-12-17/h4-6,8-9,11-13,18H,7,10H2,1-3H3
InChIKeyMMLQNXPFOOTNQJ-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(3-ethylphenyl)-3-pyridinyl]-N-methylmethanamine
CID 113469756
N-[[3-(5-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine
CID 113297313
1-(3-pyridin-3-ylphenyl)propan-2-amine
CID 131562841
[3-[3-(methylaminomethyl)phenyl]phenyl]methanamine
CID 58788121
1-chloro-N-[(5-phenyl-3-pyridinyl)methyl]propan-2-amine
CID 70078676
N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 116545369
3-[3-(2-methylpropyl)phenyl]thiophene
CID 20771915
4-bromo-5-[3-(2-methylpropyl)phenyl]pyrimidine
CID 105371570
1-[5-(3,4-dihydro-2H-chromen-8-yl)-3-pyridinyl]-N-methylmethanamine
CID 114746616
1-[3-(3,4-dimethylphenyl)phenyl]-N-methylmethanamine
CID 61034041
N-methyl-1-[3-(3,4,5-trifluorophenyl)phenyl]methanamine
CID 61239496
hydron;3-(2-methylpropyl)-5-pyridin-2-ylpyridine
CID 174909931

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine (CID 116545401) is N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine is CNCc1cncc(-c2cccc(CC(C)C)c2)c1.
What is the InChIKey of N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine?
The InChIKey is MMLQNXPFOOTNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13(2)7-14-5-4-6-16(8-14)17-9-15(10-18-3)11-19-12-17/h4-6,8-9,11-13,18H,7,10H2,1-3H3.
What are the key properties of N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine?
N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine has a molecular weight of 254.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine is sourced from PubChem (CID 116545401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).