N-[2-cyclopropyl-3-(3-methylphenyl)propyl]-2-methylpropan-1-amine

C17H27N — CID 104819290

IUPACN-[2-cyclopropyl-3-(3-methylphenyl)propyl]-2-methylpropan-1-amine
SMILESCc1cccc(CC(CNCC(C)C)C2CC2)c1
InChIInChI=1S/C17H27N/c1-13(2)11-18-12-17(16-7-8-16)10-15-6-4-5-14(3)9-15/h4-6,9,13,16-18H,7-8,10-12H2,1-3H3
InChIKeyTWZURCWWEYLTNK-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.81
Rot. Bonds7

About N-[2-cyclopropyl-3-(3-methylphenyl)propyl]-2-methylpropan-1-amine

N-[2-cyclopropyl-3-(3-methylphenyl)propyl]-2-methylpropan-1-amine (PubChem CID 104819290) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[2-cyclopropyl-3-(3-methylphenyl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopropyl-3-(3-methylphenyl)propyl]-2-methylpropan-1-amine
PubChem CID104819290
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[2-cyclopropyl-3-(3-methylphenyl)propyl]-2-methylpropan-1-amine
SMILESCc1cccc(CC(CNCC(C)C)C2CC2)c1
InChIInChI=1S/C17H27N/c1-13(2)11-18-12-17(16-7-8-16)10-15-6-4-5-14(3)9-15/h4-6,9,13,16-18H,7-8,10-12H2,1-3H3
InChIKeyTWZURCWWEYLTNK-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(3-bromophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 82932989
1-(3-bromo-2-cyclopropylpropyl)-3-methylbenzene
CID 104819634
N-[2-cycloheptyl-3-(3-methylphenyl)propyl]cyclopropanamine
CID 82933526
N-[2-cyclopropyl-3-(4-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 113456650
4-ethyl-2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)hexan-1-amine
CID 82925868
N-[3-(2-chloro-4-methylphenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 106869656
2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine
CID 62550383
1-(2-chloro-2-cyclopropylethyl)-3-methylbenzene
CID 63017026
1-cyclopropyl-2-(3-methylphenyl)ethanamine
CID 54594185
2-(3-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 65424884
2-methyl-N-[3-(3-methylphenyl)propyl]propan-1-amine
CID 62367422
N-methyl-N-[(3-methylphenyl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80997316

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-3-(3-methylphenyl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-cyclopropyl-3-(3-methylphenyl)propyl]-2-methylpropan-1-amine (CID 104819290) is N-[2-cyclopropyl-3-(3-methylphenyl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-cyclopropyl-3-(3-methylphenyl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-cyclopropyl-3-(3-methylphenyl)propyl]-2-methylpropan-1-amine is Cc1cccc(CC(CNCC(C)C)C2CC2)c1.
What is the InChIKey of N-[2-cyclopropyl-3-(3-methylphenyl)propyl]-2-methylpropan-1-amine?
The InChIKey is TWZURCWWEYLTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13(2)11-18-12-17(16-7-8-16)10-15-6-4-5-14(3)9-15/h4-6,9,13,16-18H,7-8,10-12H2,1-3H3.
What are the key properties of N-[2-cyclopropyl-3-(3-methylphenyl)propyl]-2-methylpropan-1-amine?
N-[2-cyclopropyl-3-(3-methylphenyl)propyl]-2-methylpropan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-3-(3-methylphenyl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 104819290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).