1-(3-cyclopropyloxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine

C16H26N2O — CID 114521871

IUPAC1-(3-cyclopropyloxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)C)c1cccc(OC2CC2)c1
InChIInChI=1S/C16H26N2O/c1-4-10-17-16(12-18(2)3)13-6-5-7-15(11-13)19-14-8-9-14/h5-7,11,14,16-17H,4,8-10,12H2,1-3H3
InChIKeyZDLAAVIOISFIPT-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.83
Rot. Bonds8

About 1-(3-cyclopropyloxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine

1-(3-cyclopropyloxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine (PubChem CID 114521871) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
PubChem CID114521871
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(3-cyclopropyloxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)C)c1cccc(OC2CC2)c1
InChIInChI=1S/C16H26N2O/c1-4-10-17-16(12-18(2)3)13-6-5-7-15(11-13)19-14-8-9-14/h5-7,11,14,16-17H,4,8-10,12H2,1-3H3
InChIKeyZDLAAVIOISFIPT-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114521599
N-[1-(3-cyclopropyloxyphenyl)-2-ethoxyethyl]propan-1-amine
CID 114521822
1-(3-cyclopropyloxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 114521578
N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107191379
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951
N-[(3-cyclopropyloxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 114521795
N-[(3-cyclopropyloxyphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 114521778
1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine
CID 105051902
1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine
CID 114521821
N-[(3-cyclopropyloxyphenyl)-(thian-2-yl)methyl]propan-1-amine
CID 114522013
N-[(3-cyclopropyloxyphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine
CID 114521996
1-(3-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114521865

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine (CID 114521871) is 1-(3-cyclopropyloxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine is CCCNC(CN(C)C)c1cccc(OC2CC2)c1.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine?
The InChIKey is ZDLAAVIOISFIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-10-17-16(12-18(2)3)13-6-5-7-15(11-13)19-14-8-9-14/h5-7,11,14,16-17H,4,8-10,12H2,1-3H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine?
1-(3-cyclopropyloxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 114521871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).