N-[1-(4-methylphenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine

C16H25N — CID 103561638

IUPACN-[1-(4-methylphenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
SMILESCc1ccc(C(C)NC2CC(C(C)C)C2)cc1
InChIInChI=1S/C16H25N/c1-11(2)15-9-16(10-15)17-13(4)14-7-5-12(3)6-8-14/h5-8,11,13,15-17H,9-10H2,1-4H3
InChIKeySMORASKGFFVJPY-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.08
Rot. Bonds4

About N-[1-(4-methylphenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine

N-[1-(4-methylphenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine (PubChem CID 103561638) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
PubChem CID103561638
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[1-(4-methylphenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
SMILESCc1ccc(C(C)NC2CC(C(C)C)C2)cc1
InChIInChI=1S/C16H25N/c1-11(2)15-9-16(10-15)17-13(4)14-7-5-12(3)6-8-14/h5-8,11,13,15-17H,9-10H2,1-4H3
InChIKeySMORASKGFFVJPY-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(4-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81349637
1-N-[(1R)-1-(4-methylphenyl)ethyl]cyclobutane-1,3-diamine
CID 81349548
N-[1-(4-chlorophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560864
N-[1-(4-methylphenyl)ethyl]cyclopropanamine
CID 16771025
3-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine
CID 60946183
4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81349448
N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 54863084
3-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclopentan-1-amine
CID 81349259
1-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 81349628
3,3,5,5-tetramethyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 103961012
3,3,5-trimethyl-N-[1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 63449363
1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 61461431

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of N-[1-(4-methylphenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine (CID 103561638) is N-[1-(4-methylphenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for N-[1-(4-methylphenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for N-[1-(4-methylphenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine is Cc1ccc(C(C)NC2CC(C(C)C)C2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is SMORASKGFFVJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-11(2)15-9-16(10-15)17-13(4)14-7-5-12(3)6-8-14/h5-8,11,13,15-17H,9-10H2,1-4H3.
What are the key properties of N-[1-(4-methylphenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine?
N-[1-(4-methylphenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 103561638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).