1-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylbenzene-1,4-diamine

C14H22N2O — CID 114112814

IUPAC1-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylbenzene-1,4-diamine
SMILESCOCCC1(CNc2ccc(N)cc2C)CC1
InChIInChI=1S/C14H22N2O/c1-11-9-12(15)3-4-13(11)16-10-14(5-6-14)7-8-17-2/h3-4,9,16H,5-8,10,15H2,1-2H3
InChIKeyPHOPGUQKKIVZRM-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.81
Rot. Bonds6

About 1-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylbenzene-1,4-diamine

1-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylbenzene-1,4-diamine (PubChem CID 114112814) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylbenzene-1,4-diamine
PubChem CID114112814
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylbenzene-1,4-diamine
SMILESCOCCC1(CNc2ccc(N)cc2C)CC1
InChIInChI=1S/C14H22N2O/c1-11-9-12(15)3-4-13(11)16-10-14(5-6-14)7-8-17-2/h3-4,9,16H,5-8,10,15H2,1-2H3
InChIKeyPHOPGUQKKIVZRM-UHFFFAOYSA-N
XLogP2.81
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol
CID 115358022
1-N-(6-methoxyhexyl)-2-methylbenzene-1,4-diamine
CID 58596116
4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-diamine
CID 114113423
3-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]-2-methylaniline
CID 114112981
2-[1-[(4-amino-2-iodoanilino)methyl]cyclopropyl]ethanol
CID 114755784
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine
CID 103802368
2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzonitrile
CID 114112946
4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-4,6-diamine
CID 114113412
2-fluoro-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline
CID 114112982
3-amino-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]benzamide
CID 114113192
1-N-[3-(4-amino-2-methylanilino)-2,2-dimethylpropyl]-2-methylbenzene-1,4-diamine;tetrahydrochloride
CID 69433542
2-chloro-1-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride
CID 19807713

Frequently Asked Questions

What is the IUPAC name of 1-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylbenzene-1,4-diamine?
The IUPAC name of 1-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylbenzene-1,4-diamine (CID 114112814) is 1-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylbenzene-1,4-diamine is COCCC1(CNc2ccc(N)cc2C)CC1.
What is the InChIKey of 1-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylbenzene-1,4-diamine?
The InChIKey is PHOPGUQKKIVZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-9-12(15)3-4-13(11)16-10-14(5-6-14)7-8-17-2/h3-4,9,16H,5-8,10,15H2,1-2H3.
What are the key properties of 1-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylbenzene-1,4-diamine?
1-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylbenzene-1,4-diamine has a molecular weight of 234.34 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 114112814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).