4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-propan-2-yloxybenzene-1,4-diamine

C16H29N3O — CID 103187566

IUPAC4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-propan-2-yloxybenzene-1,4-diamine
SMILESCCN(c1ccc(N)c(OC(C)C)c1)C(C)CN(C)C
InChIInChI=1S/C16H29N3O/c1-7-19(13(4)11-18(5)6)14-8-9-15(17)16(10-14)20-12(2)3/h8-10,12-13H,7,11,17H2,1-6H3
InChIKeyCIFDYKFVWVKUQN-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.83
Rot. Bonds7

About 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-propan-2-yloxybenzene-1,4-diamine

4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-propan-2-yloxybenzene-1,4-diamine (PubChem CID 103187566) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-propan-2-yloxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-propan-2-yloxybenzene-1,4-diamine
PubChem CID103187566
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-propan-2-yloxybenzene-1,4-diamine
SMILESCCN(c1ccc(N)c(OC(C)C)c1)C(C)CN(C)C
InChIInChI=1S/C16H29N3O/c1-7-19(13(4)11-18(5)6)14-8-9-15(17)16(10-14)20-12(2)3/h8-10,12-13H,7,11,17H2,1-6H3
InChIKeyCIFDYKFVWVKUQN-UHFFFAOYSA-N
XLogP2.83
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-ethyl-4-N-(1-methoxypropan-2-yl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002388
1-[2-amino-5-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanone
CID 103187601
4-N-methyl-4-N-pentyl-2-propan-2-yloxybenzene-1,4-diamine
CID 83002018
3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethylbenzene-1,3-diamine
CID 103187647
3-(4-amino-N-propan-2-yl-3-propan-2-yloxyanilino)propan-1-ol
CID 83002102
4-N-(4-ethylcyclohexyl)-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine
CID 83004693
4-N-cyclopentyl-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine
CID 83002795
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
4-ethyl-2-propan-2-yloxyaniline
CID 91557957
4-N-methyl-4-N-[(3-methylphenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83004680
2-N-[4-(bromomethyl)-3-chlorophenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 114064478

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-propan-2-yloxybenzene-1,4-diamine?
The IUPAC name of 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-propan-2-yloxybenzene-1,4-diamine (CID 103187566) is 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-propan-2-yloxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-propan-2-yloxybenzene-1,4-diamine?
The canonical SMILES for 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-propan-2-yloxybenzene-1,4-diamine is CCN(c1ccc(N)c(OC(C)C)c1)C(C)CN(C)C.
What is the InChIKey of 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-propan-2-yloxybenzene-1,4-diamine?
The InChIKey is CIFDYKFVWVKUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-7-19(13(4)11-18(5)6)14-8-9-15(17)16(10-14)20-12(2)3/h8-10,12-13H,7,11,17H2,1-6H3.
What are the key properties of 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-propan-2-yloxybenzene-1,4-diamine?
4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-propan-2-yloxybenzene-1,4-diamine has a molecular weight of 279.43 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-propan-2-yloxybenzene-1,4-diamine is sourced from PubChem (CID 103187566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).