N-[2-(4-butan-2-ylphenyl)ethyl]cyclopropanamine

C15H23N — CID 82262237

IUPACN-[2-(4-butan-2-ylphenyl)ethyl]cyclopropanamine
SMILESCCC(C)c1ccc(CCNC2CC2)cc1
InChIInChI=1S/C15H23N/c1-3-12(2)14-6-4-13(5-7-14)10-11-16-15-8-9-15/h4-7,12,15-16H,3,8-11H2,1-2H3
InChIKeyIGIDQBJINSANHC-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.49
Rot. Bonds6

About N-[2-(4-butan-2-ylphenyl)ethyl]cyclopropanamine

N-[2-(4-butan-2-ylphenyl)ethyl]cyclopropanamine (PubChem CID 82262237) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-[2-(4-butan-2-ylphenyl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-butan-2-ylphenyl)ethyl]cyclopropanamine
PubChem CID82262237
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-[2-(4-butan-2-ylphenyl)ethyl]cyclopropanamine
SMILESCCC(C)c1ccc(CCNC2CC2)cc1
InChIInChI=1S/C15H23N/c1-3-12(2)14-6-4-13(5-7-14)10-11-16-15-8-9-15/h4-7,12,15-16H,3,8-11H2,1-2H3
InChIKeyIGIDQBJINSANHC-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-butan-2-ylphenyl)ethyl]pyrrolidin-3-amine
CID 115118986
N-[4-(4-butan-2-ylphenyl)-2,2-dimethylbutyl]cyclopropanamine
CID 65308491
N-[2-(4-ethylphenyl)ethyl]cyclopropanamine
CID 62550255
4-[2-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol
CID 115149551
4-[(4-butan-2-ylphenyl)methylamino]cyclohexan-1-ol
CID 115149482
N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]cyclopropanamine
CID 98014943
N-[2-(4-butan-2-ylphenyl)ethyl]-2-methylpropan-1-amine
CID 82262124
N-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine
CID 105346462
4-[(4-butan-2-ylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926323
N-[2-(5-butan-2-yl-1-benzofuran-3-yl)ethyl]cyclopropanamine
CID 107669916
N-[2-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 105346897
4-[2-(cyclopropylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide
CID 106046169

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butan-2-ylphenyl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(4-butan-2-ylphenyl)ethyl]cyclopropanamine (CID 82262237) is N-[2-(4-butan-2-ylphenyl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-butan-2-ylphenyl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-butan-2-ylphenyl)ethyl]cyclopropanamine is CCC(C)c1ccc(CCNC2CC2)cc1.
What is the InChIKey of N-[2-(4-butan-2-ylphenyl)ethyl]cyclopropanamine?
The InChIKey is IGIDQBJINSANHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-3-12(2)14-6-4-13(5-7-14)10-11-16-15-8-9-15/h4-7,12,15-16H,3,8-11H2,1-2H3.
What are the key properties of N-[2-(4-butan-2-ylphenyl)ethyl]cyclopropanamine?
N-[2-(4-butan-2-ylphenyl)ethyl]cyclopropanamine has a molecular weight of 217.36 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butan-2-ylphenyl)ethyl]cyclopropanamine is sourced from PubChem (CID 82262237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).