1-(4-propan-2-yloxyphenyl)-N,N-dipropylethane-1,2-diamine

C17H30N2O — CID 16642868

IUPAC1-(4-propan-2-yloxyphenyl)-N,N-dipropylethane-1,2-diamine
SMILESCCCN(CCC)C(CN)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-5-11-19(12-6-2)17(13-18)15-7-9-16(10-8-15)20-14(3)4/h7-10,14,17H,5-6,11-13,18H2,1-4H3
InChIKeyMKJPQUJUXGGAKZ-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.60
Rot. Bonds9

About 1-(4-propan-2-yloxyphenyl)-N,N-dipropylethane-1,2-diamine

1-(4-propan-2-yloxyphenyl)-N,N-dipropylethane-1,2-diamine (PubChem CID 16642868) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)-N,N-dipropylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)-N,N-dipropylethane-1,2-diamine
PubChem CID16642868
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-(4-propan-2-yloxyphenyl)-N,N-dipropylethane-1,2-diamine
SMILESCCCN(CCC)C(CN)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-5-11-19(12-6-2)17(13-18)15-7-9-16(10-8-15)20-14(3)4/h7-10,14,17H,5-6,11-13,18H2,1-4H3
InChIKeyMKJPQUJUXGGAKZ-UHFFFAOYSA-N
XLogP3.60
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)-N-propylethane-1,2-diamine
CID 61440569
1-(4-ethylphenyl)-N,N-dipropylethane-1,2-diamine
CID 16642716
N'-[2-amino-1-(4-propan-2-yloxyphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695333
N-ethyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
CID 43268554
2-ethoxy-2-(4-propan-2-yloxyphenyl)ethanamine
CID 66072366
N-ethyl-1-(4-ethylphenyl)-N-propylethane-1,2-diamine
CID 43268550
N-ethyl-1-(6-methoxynaphthalen-2-yl)-N-propylethane-1,2-diamine
CID 43268541
2-[[2-amino-1-(4-methoxyphenyl)ethyl]-butylamino]ethanol
CID 55015957
N-ethyl-N-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 79481726
N-(cyclobutylmethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 62861284
N-(cyclopentylmethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 63631217
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571844

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)-N,N-dipropylethane-1,2-diamine?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)-N,N-dipropylethane-1,2-diamine (CID 16642868) is 1-(4-propan-2-yloxyphenyl)-N,N-dipropylethane-1,2-diamine.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)-N,N-dipropylethane-1,2-diamine?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)-N,N-dipropylethane-1,2-diamine is CCCN(CCC)C(CN)c1ccc(OC(C)C)cc1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)-N,N-dipropylethane-1,2-diamine?
The InChIKey is MKJPQUJUXGGAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-11-19(12-6-2)17(13-18)15-7-9-16(10-8-15)20-14(3)4/h7-10,14,17H,5-6,11-13,18H2,1-4H3.
What are the key properties of 1-(4-propan-2-yloxyphenyl)-N,N-dipropylethane-1,2-diamine?
1-(4-propan-2-yloxyphenyl)-N,N-dipropylethane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)-N,N-dipropylethane-1,2-diamine is sourced from PubChem (CID 16642868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).