1-[[2-[4-(2-methylpropyl)phenyl]ethylamino]methyl]cyclopropan-1-amine

C16H26N2 — CID 115256889

IUPAC1-[[2-[4-(2-methylpropyl)phenyl]ethylamino]methyl]cyclopropan-1-amine
SMILESCC(C)Cc1ccc(CCNCC2(N)CC2)cc1
InChIInChI=1S/C16H26N2/c1-13(2)11-15-5-3-14(4-6-15)7-10-18-12-16(17)8-9-16/h3-6,13,18H,7-12,17H2,1-2H3
InChIKeyGRMSLZLALRYIFC-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.51
Rot. Bonds7

About 1-[[2-[4-(2-methylpropyl)phenyl]ethylamino]methyl]cyclopropan-1-amine

1-[[2-[4-(2-methylpropyl)phenyl]ethylamino]methyl]cyclopropan-1-amine (PubChem CID 115256889) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[[2-[4-(2-methylpropyl)phenyl]ethylamino]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[2-[4-(2-methylpropyl)phenyl]ethylamino]methyl]cyclopropan-1-amine
PubChem CID115256889
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[[2-[4-(2-methylpropyl)phenyl]ethylamino]methyl]cyclopropan-1-amine
SMILESCC(C)Cc1ccc(CCNCC2(N)CC2)cc1
InChIInChI=1S/C16H26N2/c1-13(2)11-15-5-3-14(4-6-15)7-10-18-12-16(17)8-9-16/h3-6,13,18H,7-12,17H2,1-2H3
InChIKeyGRMSLZLALRYIFC-UHFFFAOYSA-N
XLogP2.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-aminocyclopropyl)methyl]-4-(2-methylpropyl)aniline
CID 115256344
1-[[4-(2-methylpropyl)phenyl]methyl]cyclopropan-1-amine
CID 116932038
[2-[4-(2-methylpropyl)phenyl]ethylamino]methanethiol
CID 115228211
1-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]cyclopropan-1-amine
CID 115256879
N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine
CID 79017859
2,2-dimethyl-3-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-1-ol
CID 115135445
1-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-one
CID 115234971
1-[[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]methyl]cyclopropan-1-amine
CID 115256942
2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115208978
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-propylphenyl)ethanamine
CID 115244289
N-methyl-1-[1-[[4-(2-methylpropyl)phenyl]methyl]cyclobutyl]methanamine
CID 116929382
1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
CID 101376934

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[4-(2-methylpropyl)phenyl]ethylamino]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[2-[4-(2-methylpropyl)phenyl]ethylamino]methyl]cyclopropan-1-amine (CID 115256889) is 1-[[2-[4-(2-methylpropyl)phenyl]ethylamino]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[2-[4-(2-methylpropyl)phenyl]ethylamino]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[2-[4-(2-methylpropyl)phenyl]ethylamino]methyl]cyclopropan-1-amine is CC(C)Cc1ccc(CCNCC2(N)CC2)cc1.
What is the InChIKey of 1-[[2-[4-(2-methylpropyl)phenyl]ethylamino]methyl]cyclopropan-1-amine?
The InChIKey is GRMSLZLALRYIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(2)11-15-5-3-14(4-6-15)7-10-18-12-16(17)8-9-16/h3-6,13,18H,7-12,17H2,1-2H3.
What are the key properties of 1-[[2-[4-(2-methylpropyl)phenyl]ethylamino]methyl]cyclopropan-1-amine?
1-[[2-[4-(2-methylpropyl)phenyl]ethylamino]methyl]cyclopropan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[4-(2-methylpropyl)phenyl]ethylamino]methyl]cyclopropan-1-amine is sourced from PubChem (CID 115256889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).