2-(4-butoxyphenyl)cyclopropan-1-amine

C13H19NO — CID 59628060

IUPAC2-(4-butoxyphenyl)cyclopropan-1-amine
SMILESCCCCOc1ccc(C2CC2N)cc1
InChIInChI=1S/C13H19NO/c1-2-3-8-15-11-6-4-10(5-7-11)12-9-13(12)14/h4-7,12-13H,2-3,8-9,14H2,1H3
InChIKeyKUAZZZULQOBNJN-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.68
Rot. Bonds5

About 2-(4-butoxyphenyl)cyclopropan-1-amine

2-(4-butoxyphenyl)cyclopropan-1-amine (PubChem CID 59628060) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-(4-butoxyphenyl)cyclopropan-1-amine
PubChem CID59628060
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(4-butoxyphenyl)cyclopropan-1-amine
SMILESCCCCOc1ccc(C2CC2N)cc1
InChIInChI=1S/C13H19NO/c1-2-3-8-15-11-6-4-10(5-7-11)12-9-13(12)14/h4-7,12-13H,2-3,8-9,14H2,1H3
InChIKeyKUAZZZULQOBNJN-UHFFFAOYSA-N
XLogP2.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butoxy-3-fluorophenyl)cyclopropan-1-amine;hydrochloride
CID 141455419
cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 51888240
[4-methyl-2-(4-propoxyphenyl)cyclohexyl]methanamine
CID 81010748
1,4-dipentoxybenzene
CID 18314717
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
2-propoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine
CID 107943448
2-(4-ethoxyphenyl)cyclohexan-1-amine
CID 62800786
[(1R,2S)-2-(4-butoxyphenyl)cyclohexyl] acetate
CID 15234651
4-(4-butoxyphenyl)cyclohexane-1-carboxylic acid
CID 56638920
1-cyclohexyl-4-heptoxybenzene
CID 56628106
(3R,4R)-4-(4-ethoxyphenyl)pyrrolidin-3-amine
CID 129359671

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)cyclopropan-1-amine?
The IUPAC name of 2-(4-butoxyphenyl)cyclopropan-1-amine (CID 59628060) is 2-(4-butoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for 2-(4-butoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for 2-(4-butoxyphenyl)cyclopropan-1-amine is CCCCOc1ccc(C2CC2N)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)cyclopropan-1-amine?
The InChIKey is KUAZZZULQOBNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-3-8-15-11-6-4-10(5-7-11)12-9-13(12)14/h4-7,12-13H,2-3,8-9,14H2,1H3.
What are the key properties of 2-(4-butoxyphenyl)cyclopropan-1-amine?
2-(4-butoxyphenyl)cyclopropan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 59628060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).