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

C13H19NO — CID 176600584

IUPAC1-(2-butoxyphenyl)cyclopropan-1-amine
SMILESCCCCOc1ccccc1C1(N)CC1
InChIInChI=1S/C13H19NO/c1-2-3-10-15-12-7-5-4-6-11(12)13(14)8-9-13/h4-7H,2-3,8-10,14H2,1H3
InChIKeyXQJCPAKGTPYGIC-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.81
Rot. Bonds5

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

1-(2-butoxyphenyl)cyclopropan-1-amine (PubChem CID 176600584) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(2-butoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2-butoxyphenyl)cyclopropan-1-amine
PubChem CID176600584
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(2-butoxyphenyl)cyclopropan-1-amine
SMILESCCCCOc1ccccc1C1(N)CC1
InChIInChI=1S/C13H19NO/c1-2-3-10-15-12-7-5-4-6-11(12)13(14)8-9-13/h4-7H,2-3,8-10,14H2,1H3
InChIKeyXQJCPAKGTPYGIC-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
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

1-[2-[2-(methylamino)ethoxy]phenyl]cyclopropan-1-amine
CID 141324202
1-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 104659085
3-ethyl-1-(2-propoxyphenyl)cyclopentan-1-amine
CID 104659063
1-[2-(2-methoxyethoxy)phenyl]-3,3-dimethylcyclohexan-1-amine
CID 104659061
2-(2-ethoxyphenyl)-1,3-dihydroinden-2-amine
CID 62800564
2-[2-(1-aminocyclopropyl)phenoxy]ethyl-methylcarbamic acid;2,2,2-trifluoroacetic acid
CID 68654471
1-[2-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine
CID 117366198
2,3-dimethyl-1-(2-propoxyphenyl)cyclohexan-1-amine
CID 104659071
1-(2-ethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65086371
1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
CID 118036044
1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817
1-[2-(difluoromethoxy)phenyl]cyclopropan-1-amine
CID 95732347

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(2-butoxyphenyl)cyclopropan-1-amine (CID 176600584) is 1-(2-butoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2-butoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(2-butoxyphenyl)cyclopropan-1-amine is CCCCOc1ccccc1C1(N)CC1.
What is the InChIKey of 1-(2-butoxyphenyl)cyclopropan-1-amine?
The InChIKey is XQJCPAKGTPYGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-3-10-15-12-7-5-4-6-11(12)13(14)8-9-13/h4-7H,2-3,8-10,14H2,1H3.
What are the key properties of 1-(2-butoxyphenyl)cyclopropan-1-amine?
1-(2-butoxyphenyl)cyclopropan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 176600584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).