N-[4-(3-methylbutoxy)-2-(2-methylphenyl)butyl]cyclopropanamine

C19H31NO — CID 79424178

IUPACN-[4-(3-methylbutoxy)-2-(2-methylphenyl)butyl]cyclopropanamine
SMILESCc1ccccc1C(CCOCCC(C)C)CNC1CC1
InChIInChI=1S/C19H31NO/c1-15(2)10-12-21-13-11-17(14-20-18-8-9-18)19-7-5-4-6-16(19)3/h4-7,15,17-18,20H,8-14H2,1-3H3
InChIKeyHJQUPABJUQVLTA-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.28
Rot. Bonds10

About N-[4-(3-methylbutoxy)-2-(2-methylphenyl)butyl]cyclopropanamine

N-[4-(3-methylbutoxy)-2-(2-methylphenyl)butyl]cyclopropanamine (PubChem CID 79424178) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[4-(3-methylbutoxy)-2-(2-methylphenyl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(3-methylbutoxy)-2-(2-methylphenyl)butyl]cyclopropanamine
PubChem CID79424178
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[4-(3-methylbutoxy)-2-(2-methylphenyl)butyl]cyclopropanamine
SMILESCc1ccccc1C(CCOCCC(C)C)CNC1CC1
InChIInChI=1S/C19H31NO/c1-15(2)10-12-21-13-11-17(14-20-18-8-9-18)19-7-5-4-6-16(19)3/h4-7,15,17-18,20H,8-14H2,1-3H3
InChIKeyHJQUPABJUQVLTA-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.28
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

N-methyl-4-(3-methylbutoxy)-2-(2-methylphenyl)butan-1-amine
CID 79421011
N-[2-(2-methylphenyl)butyl]cyclopropanamine
CID 79421511
N-[2-(2-chlorophenyl)-4-propoxybutyl]cyclopropanamine
CID 106457197
N-[2-(2-fluorophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine
CID 103183708
N-[2-(2-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
CID 62105981
N-[2-methyl-3-(2-methylphenyl)butyl]cyclopropanamine
CID 81015304
N-[2-(2-bromophenyl)-4-propan-2-yloxybutyl]cyclopropanamine
CID 79448847
N-[2-(2-fluorophenyl)-6-methylheptyl]cyclopropanamine
CID 83169179
4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79420865
4-ethoxy-N-methyl-2-(2-methylphenyl)butan-1-amine
CID 79421089
N-[2-(2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]butyl]cyclopropanamine
CID 115943473
2-(2-methylphenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine
CID 79421903

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylbutoxy)-2-(2-methylphenyl)butyl]cyclopropanamine?
The IUPAC name of N-[4-(3-methylbutoxy)-2-(2-methylphenyl)butyl]cyclopropanamine (CID 79424178) is N-[4-(3-methylbutoxy)-2-(2-methylphenyl)butyl]cyclopropanamine.
What is the SMILES notation for N-[4-(3-methylbutoxy)-2-(2-methylphenyl)butyl]cyclopropanamine?
The canonical SMILES for N-[4-(3-methylbutoxy)-2-(2-methylphenyl)butyl]cyclopropanamine is Cc1ccccc1C(CCOCCC(C)C)CNC1CC1.
What is the InChIKey of N-[4-(3-methylbutoxy)-2-(2-methylphenyl)butyl]cyclopropanamine?
The InChIKey is HJQUPABJUQVLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-15(2)10-12-21-13-11-17(14-20-18-8-9-18)19-7-5-4-6-16(19)3/h4-7,15,17-18,20H,8-14H2,1-3H3.
What are the key properties of N-[4-(3-methylbutoxy)-2-(2-methylphenyl)butyl]cyclopropanamine?
N-[4-(3-methylbutoxy)-2-(2-methylphenyl)butyl]cyclopropanamine has a molecular weight of 289.46 g/mol, XLogP of 4.28, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylbutoxy)-2-(2-methylphenyl)butyl]cyclopropanamine is sourced from PubChem (CID 79424178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).