2-methyl-N-[[1-[(4-methylphenyl)methyl]cyclopropyl]methyl]propan-2-amine

C16H25N — CID 66026023

IUPAC2-methyl-N-[[1-[(4-methylphenyl)methyl]cyclopropyl]methyl]propan-2-amine
SMILESCc1ccc(CC2(CNC(C)(C)C)CC2)cc1
InChIInChI=1S/C16H25N/c1-13-5-7-14(8-6-13)11-16(9-10-16)12-17-15(2,3)4/h5-8,17H,9-12H2,1-4H3
InChIKeyNBYGSGBSOWLZON-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.71
Rot. Bonds4

About 2-methyl-N-[[1-[(4-methylphenyl)methyl]cyclopropyl]methyl]propan-2-amine

2-methyl-N-[[1-[(4-methylphenyl)methyl]cyclopropyl]methyl]propan-2-amine (PubChem CID 66026023) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-methyl-N-[[1-[(4-methylphenyl)methyl]cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[(4-methylphenyl)methyl]cyclopropyl]methyl]propan-2-amine
PubChem CID66026023
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-methyl-N-[[1-[(4-methylphenyl)methyl]cyclopropyl]methyl]propan-2-amine
SMILESCc1ccc(CC2(CNC(C)(C)C)CC2)cc1
InChIInChI=1S/C16H25N/c1-13-5-7-14(8-6-13)11-16(9-10-16)12-17-15(2,3)4/h5-8,17H,9-12H2,1-4H3
InChIKeyNBYGSGBSOWLZON-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-[(3,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
CID 66023597
N-[(1-benzylcyclobutyl)methyl]-2-methylpropan-2-amine
CID 65194402
N-[[1-[(3-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
CID 66026247
N-[[1-[(4-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 62724999
N-[(3-benzyloxolan-3-yl)methyl]-2-methylpropan-2-amine
CID 62719389
2-methyl-N-[[1-[(2-methylphenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 63509068
2-methyl-N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62718039
N-[[1-[(3-bromophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63507661
1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylbenzene
CID 66048468
2-[1-[(4-methylphenyl)methyl]cyclopropyl]acetic acid
CID 22978374
N-[[1-[(3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65194679
2-methyl-N-[[4-[(4-methylphenyl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62905753

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[(4-methylphenyl)methyl]cyclopropyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[(4-methylphenyl)methyl]cyclopropyl]methyl]propan-2-amine (CID 66026023) is 2-methyl-N-[[1-[(4-methylphenyl)methyl]cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[(4-methylphenyl)methyl]cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[(4-methylphenyl)methyl]cyclopropyl]methyl]propan-2-amine is Cc1ccc(CC2(CNC(C)(C)C)CC2)cc1.
What is the InChIKey of 2-methyl-N-[[1-[(4-methylphenyl)methyl]cyclopropyl]methyl]propan-2-amine?
The InChIKey is NBYGSGBSOWLZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-13-5-7-14(8-6-13)11-16(9-10-16)12-17-15(2,3)4/h5-8,17H,9-12H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-[(4-methylphenyl)methyl]cyclopropyl]methyl]propan-2-amine?
2-methyl-N-[[1-[(4-methylphenyl)methyl]cyclopropyl]methyl]propan-2-amine has a molecular weight of 231.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[(4-methylphenyl)methyl]cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 66026023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).