4-N-(4-ethylcyclohexyl)-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine

C18H30N2O — CID 83004693

IUPAC4-N-(4-ethylcyclohexyl)-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine
SMILESCCC1CCC(N(C)c2ccc(N)c(OC(C)C)c2)CC1
InChIInChI=1S/C18H30N2O/c1-5-14-6-8-15(9-7-14)20(4)16-10-11-17(19)18(12-16)21-13(2)3/h10-15H,5-9,19H2,1-4H3
InChIKeyBZDOHSDDSUSUPW-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.46
Rot. Bonds5

About 4-N-(4-ethylcyclohexyl)-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine

4-N-(4-ethylcyclohexyl)-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine (PubChem CID 83004693) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-N-(4-ethylcyclohexyl)-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-ethylcyclohexyl)-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine
PubChem CID83004693
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4-N-(4-ethylcyclohexyl)-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine
SMILESCCC1CCC(N(C)c2ccc(N)c(OC(C)C)c2)CC1
InChIInChI=1S/C18H30N2O/c1-5-14-6-8-15(9-7-14)20(4)16-10-11-17(19)18(12-16)21-13(2)3/h10-15H,5-9,19H2,1-4H3
InChIKeyBZDOHSDDSUSUPW-UHFFFAOYSA-N
XLogP4.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-cyclopentyl-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine
CID 83002795
4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine
CID 63669956
2-amino-4-[(4-ethylcyclohexyl)-methylamino]benzoic acid
CID 104500356
4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-propan-2-yloxybenzene-1,4-diamine
CID 103187566
4-N-methyl-4-N-pentyl-2-propan-2-yloxybenzene-1,4-diamine
CID 83002018
4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002804
4-N-ethyl-4-N-(1-methoxypropan-2-yl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002388
4-(aminomethyl)-3-bromo-N-(4-ethylcyclohexyl)-N-methylaniline
CID 107274794
2-chloro-4-[(4-ethylcyclohexyl)-methylamino]benzaldehyde
CID 114064082
2-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-4-amine
CID 55125544
4-(4-amino-N-methyl-3-propan-2-yloxyanilino)benzonitrile
CID 83005105
4-N-[(4-bromophenyl)methyl]-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine
CID 83004684

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethylcyclohexyl)-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine?
The IUPAC name of 4-N-(4-ethylcyclohexyl)-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine (CID 83004693) is 4-N-(4-ethylcyclohexyl)-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-ethylcyclohexyl)-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(4-ethylcyclohexyl)-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine is CCC1CCC(N(C)c2ccc(N)c(OC(C)C)c2)CC1.
What is the InChIKey of 4-N-(4-ethylcyclohexyl)-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine?
The InChIKey is BZDOHSDDSUSUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-14-6-8-15(9-7-14)20(4)16-10-11-17(19)18(12-16)21-13(2)3/h10-15H,5-9,19H2,1-4H3.
What are the key properties of 4-N-(4-ethylcyclohexyl)-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine?
4-N-(4-ethylcyclohexyl)-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine has a molecular weight of 290.45 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethylcyclohexyl)-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine is sourced from PubChem (CID 83004693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).