2-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]propan-1-amine

C15H23N — CID 115876411

IUPAC2-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]propan-1-amine
SMILESCC(C)CNC(c1ccccc1)C1CC1C
InChIInChI=1S/C15H23N/c1-11(2)10-16-15(14-9-12(14)3)13-7-5-4-6-8-13/h4-8,11-12,14-16H,9-10H2,1-3H3
InChIKeyQIHOAPPDSLOZHD-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.63
Rot. Bonds5

About 2-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]propan-1-amine

2-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]propan-1-amine (PubChem CID 115876411) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]propan-1-amine
PubChem CID115876411
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]propan-1-amine
SMILESCC(C)CNC(c1ccccc1)C1CC1C
InChIInChI=1S/C15H23N/c1-11(2)10-16-15(14-9-12(14)3)13-7-5-4-6-8-13/h4-8,11-12,14-16H,9-10H2,1-3H3
InChIKeyQIHOAPPDSLOZHD-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]propan-1-amine (CID 115876411) is 2-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]propan-1-amine is CC(C)CNC(c1ccccc1)C1CC1C.
What is the InChIKey of 2-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]propan-1-amine?
The InChIKey is QIHOAPPDSLOZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-11(2)10-16-15(14-9-12(14)3)13-7-5-4-6-8-13/h4-8,11-12,14-16H,9-10H2,1-3H3.
What are the key properties of 2-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]propan-1-amine?
2-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]propan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methylcyclopropyl)-phenylmethyl]propan-1-amine is sourced from PubChem (CID 115876411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).