N-[(4-propan-2-yloxyphenyl)methyl]-N',N'-dipropylethane-1,2-diamine

C18H32N2O — CID 54809733

IUPACN-[(4-propan-2-yloxyphenyl)methyl]-N',N'-dipropylethane-1,2-diamine
SMILESCCCN(CCC)CCNCc1ccc(OC(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-5-12-20(13-6-2)14-11-19-15-17-7-9-18(10-8-17)21-16(3)4/h7-10,16,19H,5-6,11-15H2,1-4H3
InChIKeyXLDLBUZKHMGTQC-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.69
Rot. Bonds11

About N-[(4-propan-2-yloxyphenyl)methyl]-N',N'-dipropylethane-1,2-diamine

N-[(4-propan-2-yloxyphenyl)methyl]-N',N'-dipropylethane-1,2-diamine (PubChem CID 54809733) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[(4-propan-2-yloxyphenyl)methyl]-N',N'-dipropylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(4-propan-2-yloxyphenyl)methyl]-N',N'-dipropylethane-1,2-diamine
PubChem CID54809733
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-[(4-propan-2-yloxyphenyl)methyl]-N',N'-dipropylethane-1,2-diamine
SMILESCCCN(CCC)CCNCc1ccc(OC(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-5-12-20(13-6-2)14-11-19-15-17-7-9-18(10-8-17)21-16(3)4/h7-10,16,19H,5-6,11-15H2,1-4H3
InChIKeyXLDLBUZKHMGTQC-UHFFFAOYSA-N
XLogP3.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-propan-2-yloxyphenyl)-N',N'-dipropylethane-1,2-diamine
CID 54809461
N-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54810062
N',N'-diethyl-N-[[4-(2-methylpropoxy)phenyl]methyl]ethane-1,2-diamine
CID 54803547
N-[(4-propan-2-yloxyphenyl)methyl]hex-5-yn-1-amine
CID 113256054
N'-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]-N'-propylethane-1,2-diamine
CID 103720680
N'-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54806264
4-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]phenol
CID 61236557
2-methylsulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 54932029
N',N'-dibutyl-N-[(4-phenoxyphenyl)methyl]ethane-1,2-diamine;ethane
CID 142139819
N,N-dimethyl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 54935244
4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol
CID 115581451
N-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]acetamide
CID 43770338

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-yloxyphenyl)methyl]-N',N'-dipropylethane-1,2-diamine?
The IUPAC name of N-[(4-propan-2-yloxyphenyl)methyl]-N',N'-dipropylethane-1,2-diamine (CID 54809733) is N-[(4-propan-2-yloxyphenyl)methyl]-N',N'-dipropylethane-1,2-diamine.
What is the SMILES notation for N-[(4-propan-2-yloxyphenyl)methyl]-N',N'-dipropylethane-1,2-diamine?
The canonical SMILES for N-[(4-propan-2-yloxyphenyl)methyl]-N',N'-dipropylethane-1,2-diamine is CCCN(CCC)CCNCc1ccc(OC(C)C)cc1.
What is the InChIKey of N-[(4-propan-2-yloxyphenyl)methyl]-N',N'-dipropylethane-1,2-diamine?
The InChIKey is XLDLBUZKHMGTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-5-12-20(13-6-2)14-11-19-15-17-7-9-18(10-8-17)21-16(3)4/h7-10,16,19H,5-6,11-15H2,1-4H3.
What are the key properties of N-[(4-propan-2-yloxyphenyl)methyl]-N',N'-dipropylethane-1,2-diamine?
N-[(4-propan-2-yloxyphenyl)methyl]-N',N'-dipropylethane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.69, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-yloxyphenyl)methyl]-N',N'-dipropylethane-1,2-diamine is sourced from PubChem (CID 54809733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).