1-cyclopropyl-N-methyl-1-(4-methylphenoxy)-4-phenylbutan-1-amine

C21H27NO — CID 57185827

IUPAC1-cyclopropyl-N-methyl-1-(4-methylphenoxy)-4-phenylbutan-1-amine
SMILESCNC(CCCc1ccccc1)(Oc1ccc(C)cc1)C1CC1
InChIInChI=1S/C21H27NO/c1-17-10-14-20(15-11-17)23-21(22-2,19-12-13-19)16-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-11,14-15,19,22H,6,9,12-13,16H2,1-2H3
InChIKeyRRFGJDZDAOBHRR-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.72
Rot. Bonds8

About 1-cyclopropyl-N-methyl-1-(4-methylphenoxy)-4-phenylbutan-1-amine

1-cyclopropyl-N-methyl-1-(4-methylphenoxy)-4-phenylbutan-1-amine (PubChem CID 57185827) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-1-(4-methylphenoxy)-4-phenylbutan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-1-(4-methylphenoxy)-4-phenylbutan-1-amine
PubChem CID57185827
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name1-cyclopropyl-N-methyl-1-(4-methylphenoxy)-4-phenylbutan-1-amine
SMILESCNC(CCCc1ccccc1)(Oc1ccc(C)cc1)C1CC1
InChIInChI=1S/C21H27NO/c1-17-10-14-20(15-11-17)23-21(22-2,19-12-13-19)16-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-11,14-15,19,22H,6,9,12-13,16H2,1-2H3
InChIKeyRRFGJDZDAOBHRR-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[1-cyclopropyl-1-(methylamino)-4-phenylbutoxy]benzonitrile
CID 57129541
2-cyclopropyl-2-methyl-5-phenylpentan-1-ol
CID 83150041
N-(2-cyclopropyl-2-methyl-5-phenylpentyl)cyclopropanamine
CID 83160152
1-(3-cyclopentylpropyl)-4-methylbenzene
CID 149264652
1-methyl-4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]benzene
CID 172807239
1-cyclohexyl-N-methyl-6-phenylhexan-3-amine
CID 115849338
diethyl 2-[3-(4-methylphenyl)propyl]-2-(2-phenylethyl)propanedioate
CID 70552408
4-cyclopropylbutylbenzene
CID 10261592
1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride
CID 174678575
1-[difluoro-(4-methylcyclohexyl)methoxy]-4-methylbenzene
CID 20705614
5-cyclopropylpentylbenzene
CID 91089836
(3-cyclopentyl-3-methylbutyl)benzene
CID 102410017

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-1-(4-methylphenoxy)-4-phenylbutan-1-amine?
The IUPAC name of 1-cyclopropyl-N-methyl-1-(4-methylphenoxy)-4-phenylbutan-1-amine (CID 57185827) is 1-cyclopropyl-N-methyl-1-(4-methylphenoxy)-4-phenylbutan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-1-(4-methylphenoxy)-4-phenylbutan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-methyl-1-(4-methylphenoxy)-4-phenylbutan-1-amine is CNC(CCCc1ccccc1)(Oc1ccc(C)cc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-1-(4-methylphenoxy)-4-phenylbutan-1-amine?
The InChIKey is RRFGJDZDAOBHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-17-10-14-20(15-11-17)23-21(22-2,19-12-13-19)16-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-11,14-15,19,22H,6,9,12-13,16H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-methyl-1-(4-methylphenoxy)-4-phenylbutan-1-amine?
1-cyclopropyl-N-methyl-1-(4-methylphenoxy)-4-phenylbutan-1-amine has a molecular weight of 309.45 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-1-(4-methylphenoxy)-4-phenylbutan-1-amine is sourced from PubChem (CID 57185827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).