N'-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]ethane-1,2-diamine

C16H26N2O — CID 115207173

IUPACN'-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]ethane-1,2-diamine
SMILESCOc1ccc(C(C)(C)CNCCNC2CC2)cc1
InChIInChI=1S/C16H26N2O/c1-16(2,12-17-10-11-18-14-6-7-14)13-4-8-15(19-3)9-5-13/h4-5,8-9,14,17-18H,6-7,10-12H2,1-3H3
InChIKeyVKLDZPJXUCOXSS-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.31
Rot. Bonds8

About N'-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]ethane-1,2-diamine

N'-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]ethane-1,2-diamine (PubChem CID 115207173) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N'-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]ethane-1,2-diamine
PubChem CID115207173
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN'-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]ethane-1,2-diamine
SMILESCOc1ccc(C(C)(C)CNCCNC2CC2)cc1
InChIInChI=1S/C16H26N2O/c1-16(2,12-17-10-11-18-14-6-7-14)13-4-8-15(19-3)9-5-13/h4-5,8-9,14,17-18H,6-7,10-12H2,1-3H3
InChIKeyVKLDZPJXUCOXSS-UHFFFAOYSA-N
XLogP2.31
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopropyl-N-[2-(2-methoxyphenyl)-2-methylpropyl]ethane-1,2-diamine
CID 115207193
1-(cyclopropylamino)-2-(4-methoxyphenyl)propan-2-ol
CID 62773017
N'-cyclopropyl-N-[2-methyl-2-(2-methylphenyl)propyl]ethane-1,2-diamine
CID 115207185
1-(cyclopentylamino)-2-(4-methoxyphenyl)propan-2-ol
CID 115002997
1-[[[2-(4-methoxyphenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
CID 115257119
N-cyclopropyl-N'-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine
CID 115206803
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-2-phenylpropan-1-amine
CID 65445010
N'-cyclohexyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 54810069
N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]cyclopropanamine
CID 62595732
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine
CID 62595328
N-[3-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 81022096
N'-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 112690313

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]ethane-1,2-diamine (CID 115207173) is N'-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]ethane-1,2-diamine is COc1ccc(C(C)(C)CNCCNC2CC2)cc1.
What is the InChIKey of N'-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]ethane-1,2-diamine?
The InChIKey is VKLDZPJXUCOXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2,12-17-10-11-18-14-6-7-14)13-4-8-15(19-3)9-5-13/h4-5,8-9,14,17-18H,6-7,10-12H2,1-3H3.
What are the key properties of N'-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]ethane-1,2-diamine?
N'-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]ethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[2-(4-methoxyphenyl)-2-methylpropyl]ethane-1,2-diamine is sourced from PubChem (CID 115207173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).