N-[2-methyl-3-(4-propoxyphenyl)prop-2-enyl]cyclopropanamine

C16H23NO — CID 79340630

IUPACN-[2-methyl-3-(4-propoxyphenyl)prop-2-enyl]cyclopropanamine
SMILESCCCOc1ccc(C=C(C)CNC2CC2)cc1
InChIInChI=1S/C16H23NO/c1-3-10-18-16-8-4-14(5-9-16)11-13(2)12-17-15-6-7-15/h4-5,8-9,11,15,17H,3,6-7,10,12H2,1-2H3
InChIKeyQHNJOFZUJAQOII-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.63
Rot. Bonds7

About N-[2-methyl-3-(4-propoxyphenyl)prop-2-enyl]cyclopropanamine

N-[2-methyl-3-(4-propoxyphenyl)prop-2-enyl]cyclopropanamine (PubChem CID 79340630) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[2-methyl-3-(4-propoxyphenyl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-3-(4-propoxyphenyl)prop-2-enyl]cyclopropanamine
PubChem CID79340630
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[2-methyl-3-(4-propoxyphenyl)prop-2-enyl]cyclopropanamine
SMILESCCCOc1ccc(C=C(C)CNC2CC2)cc1
InChIInChI=1S/C16H23NO/c1-3-10-18-16-8-4-14(5-9-16)11-13(2)12-17-15-6-7-15/h4-5,8-9,11,15,17H,3,6-7,10,12H2,1-2H3
InChIKeyQHNJOFZUJAQOII-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-butoxyphenyl)-2-methylprop-2-enyl]cyclopropanamine
CID 79341149
N-[2-[(4-propoxyphenyl)methylidene]butyl]cyclopropanamine
CID 79329584
N-[2-(4-propoxyphenoxy)propyl]cyclopropanamine
CID 62486929
(Z)-N,3-dimethyl-4-(4-propoxyphenyl)but-3-en-2-amine
CID 103092943
2-cyano-N-cyclopentyl-3-(4-propoxyphenyl)prop-2-enamide
CID 5123323
2-methyl-3-(4-pentoxyphenyl)prop-2-en-1-amine
CID 79324202
1-(2-methoxyethyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-4-amine
CID 119108245
N-cyclopropyl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988925
4-(4-propoxyanilino)cyclohexan-1-ol
CID 106594574
(E)-3-methyl-4-(4-propoxyphenyl)-N-propylbut-3-en-2-amine
CID 103093563
N-[2-(4-propoxyphenoxy)propyl]cyclopentanamine
CID 62597520
1-(2-methylprop-1-enyl)-4-tetradecoxybenzene
CID 150699958

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(4-propoxyphenyl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-3-(4-propoxyphenyl)prop-2-enyl]cyclopropanamine (CID 79340630) is N-[2-methyl-3-(4-propoxyphenyl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-3-(4-propoxyphenyl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-3-(4-propoxyphenyl)prop-2-enyl]cyclopropanamine is CCCOc1ccc(C=C(C)CNC2CC2)cc1.
What is the InChIKey of N-[2-methyl-3-(4-propoxyphenyl)prop-2-enyl]cyclopropanamine?
The InChIKey is QHNJOFZUJAQOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-10-18-16-8-4-14(5-9-16)11-13(2)12-17-15-6-7-15/h4-5,8-9,11,15,17H,3,6-7,10,12H2,1-2H3.
What are the key properties of N-[2-methyl-3-(4-propoxyphenyl)prop-2-enyl]cyclopropanamine?
N-[2-methyl-3-(4-propoxyphenyl)prop-2-enyl]cyclopropanamine has a molecular weight of 245.37 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(4-propoxyphenyl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 79340630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).