1-(3-cyclopropylphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine

C16H26N2O — CID 79984565

IUPAC1-(3-cyclopropylphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCCN(CCOC)C(CN)c1cccc(C2CC2)c1
InChIInChI=1S/C16H26N2O/c1-3-18(9-10-19-2)16(12-17)15-6-4-5-14(11-15)13-7-8-13/h4-6,11,13,16H,3,7-10,12,17H2,1-2H3
InChIKeyYGTGVKCVPAPWRT-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.53
Rot. Bonds8

About 1-(3-cyclopropylphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine

1-(3-cyclopropylphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 79984565) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(3-cyclopropylphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-cyclopropylphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
PubChem CID79984565
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(3-cyclopropylphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCCN(CCOC)C(CN)c1cccc(C2CC2)c1
InChIInChI=1S/C16H26N2O/c1-3-18(9-10-19-2)16(12-17)15-6-4-5-14(11-15)13-7-8-13/h4-6,11,13,16H,3,7-10,12,17H2,1-2H3
InChIKeyYGTGVKCVPAPWRT-UHFFFAOYSA-N
XLogP2.53
TPSA38.49 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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopropylphenyl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine
CID 79969343
N-(cyclobutylmethyl)-1-(3-cyclopropylphenyl)-N-ethylethane-1,2-diamine
CID 107397877
1-(3-cyclopropylphenyl)-N,N-dimethylethane-1,2-diamine
CID 79984483
2-N-[2-amino-1-(3-cyclopropylphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188232
ethyl 3-(3-cyclopropylphenyl)-3-(diethylamino)propanoate
CID 79971907
N'-[2-amino-1-(3-cyclopropylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 79984117
1-(3-cyclopropylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112658329
N-ethyl-1-(3-fluoro-4-methylphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 63647577
1-(3-chlorophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
CID 63695739
1-(3-bromophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
CID 63697349
(1S)-N,N-diethyl-1-(3-methoxyphenyl)ethane-1,2-diamine
CID 9450069
N'-[2-amino-1-(4-cyclopropylphenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991833

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-cyclopropylphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine (CID 79984565) is 1-(3-cyclopropylphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-cyclopropylphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-cyclopropylphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine is CCN(CCOC)C(CN)c1cccc(C2CC2)c1.
What is the InChIKey of 1-(3-cyclopropylphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is YGTGVKCVPAPWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-18(9-10-19-2)16(12-17)15-6-4-5-14(11-15)13-7-8-13/h4-6,11,13,16H,3,7-10,12,17H2,1-2H3.
What are the key properties of 1-(3-cyclopropylphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine?
1-(3-cyclopropylphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 79984565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).