1-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylethane-1,2-diamine

C16H26N2O — CID 116651335

IUPAC1-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylethane-1,2-diamine
SMILESCOc1ccc(CC(C)N(C)C(CN)C2CC2)cc1
InChIInChI=1S/C16H26N2O/c1-12(18(2)16(11-17)14-6-7-14)10-13-4-8-15(19-3)9-5-13/h4-5,8-9,12,14,16H,6-7,10-11,17H2,1-3H3
InChIKeyBFFUBPPPJIPOJA-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.30
Rot. Bonds7

About 1-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylethane-1,2-diamine

1-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylethane-1,2-diamine (PubChem CID 116651335) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylethane-1,2-diamine
PubChem CID116651335
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylethane-1,2-diamine
SMILESCOc1ccc(CC(C)N(C)C(CN)C2CC2)cc1
InChIInChI=1S/C16H26N2O/c1-12(18(2)16(11-17)14-6-7-14)10-13-4-8-15(19-3)9-5-13/h4-5,8-9,12,14,16H,6-7,10-11,17H2,1-3H3
InChIKeyBFFUBPPPJIPOJA-UHFFFAOYSA-N
XLogP2.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-4-(4-methoxyphenyl)butan-1-amine
CID 112507866
2-[(4-methoxyphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 55083614
2-fluoro-3-(4-methoxyphenyl)propan-1-amine
CID 84718779
2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420599
N-(2-amino-1-cyclopropylethyl)-2,5-dimethoxy-N-methylbenzenesulfonamide
CID 116652179
1-(4-tert-butylcyclohexyl)-2-(4-methoxyphenyl)ethanamine
CID 63528924
N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylpyrrolidin-3-amine
CID 63297878
1-cyclopropyl-N-methyl-N-propan-2-ylethane-1,2-diamine
CID 43654990
1-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112658627
2-cyclopropyl-3-(4-methoxyphenyl)propanal
CID 83832511
1-N-(1-cyclopropylethyl)-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 55016241
N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62702803

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylethane-1,2-diamine (CID 116651335) is 1-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylethane-1,2-diamine is COc1ccc(CC(C)N(C)C(CN)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylethane-1,2-diamine?
The InChIKey is BFFUBPPPJIPOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(18(2)16(11-17)14-6-7-14)10-13-4-8-15(19-3)9-5-13/h4-5,8-9,12,14,16H,6-7,10-11,17H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylethane-1,2-diamine?
1-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 116651335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).