N-ethyl-1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine

C14H24N2O — CID 43265559

IUPACN-ethyl-1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine
SMILESCCN(C(C)C)C(CN)c1cccc(OC)c1
InChIInChI=1S/C14H24N2O/c1-5-16(11(2)3)14(10-15)12-7-6-8-13(9-12)17-4/h6-9,11,14H,5,10,15H2,1-4H3
InChIKeyMPUYSMMJGNAKLA-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.43
Rot. Bonds6

About N-ethyl-1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine

N-ethyl-1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine (PubChem CID 43265559) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-ethyl-1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine
PubChem CID43265559
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-ethyl-1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine
SMILESCCN(C(C)C)C(CN)c1cccc(OC)c1
InChIInChI=1S/C14H24N2O/c1-5-16(11(2)3)14(10-15)12-7-6-8-13(9-12)17-4/h6-9,11,14H,5,10,15H2,1-4H3
InChIKeyMPUYSMMJGNAKLA-UHFFFAOYSA-N
XLogP2.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N,N-diethyl-1-(3-methoxyphenyl)ethane-1,2-diamine
CID 9450069
1-(3-chlorophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
CID 43265560
1-(3-bromophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
CID 43265571
1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
CID 61453536
1-[[2-amino-1-(3-methoxyphenyl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79384884
N-cyclohexyl-N-ethyl-1-(3-methoxyphenyl)ethane-1,2-diamine
CID 16783431
1-(3,5-dimethoxyphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269422
2-chloro-N,N-diethyl-1-(3-methoxyphenyl)ethanamine
CID 112508549
1-(3-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 55141844
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-ethyl-1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine (CID 43265559) is N-ethyl-1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-ethyl-1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-ethyl-1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine is CCN(C(C)C)C(CN)c1cccc(OC)c1.
What is the InChIKey of N-ethyl-1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine?
The InChIKey is MPUYSMMJGNAKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-16(11(2)3)14(10-15)12-7-6-8-13(9-12)17-4/h6-9,11,14H,5,10,15H2,1-4H3.
What are the key properties of N-ethyl-1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine?
N-ethyl-1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 43265559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).