N'-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)propane-1,3-diamine

C14H25N3O — CID 43136363

IUPACN'-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)propane-1,3-diamine
SMILESCOc1ccc(N(CCCN)CCN(C)C)cc1
InChIInChI=1S/C14H25N3O/c1-16(2)11-12-17(10-4-9-15)13-5-7-14(18-3)8-6-13/h5-8H,4,9-12,15H2,1-3H3
InChIKeyLHRXZZOIKGHOTA-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.41
Rot. Bonds8

About N'-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)propane-1,3-diamine

N'-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)propane-1,3-diamine (PubChem CID 43136363) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)propane-1,3-diamine
PubChem CID43136363
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN'-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)propane-1,3-diamine
SMILESCOc1ccc(N(CCCN)CCN(C)C)cc1
InChIInChI=1S/C14H25N3O/c1-16(2)11-12-17(10-4-9-15)13-5-7-14(18-3)8-6-13/h5-8H,4,9-12,15H2,1-3H3
InChIKeyLHRXZZOIKGHOTA-UHFFFAOYSA-N
XLogP1.41
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-[N-(3-aminopropyl)-4-methoxyanilino]pentan-1-ol
CID 62227300
N'-(2-ethylsulfonylethyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 43807496
N'-(4-methoxyphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 62698200
2-[N-(3-aminopropyl)-4-methoxyanilino]-N-methyl-N-propan-2-ylacetamide
CID 43319129
N'-(4-methoxyphenyl)-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 28770933
3-[N-(3-aminopropyl)-4-methoxyanilino]-N-propan-2-ylpropanamide
CID 62624331
2-[N-(3-aminopropyl)-4-methoxyanilino]-N-propylacetamide
CID 43136352
1-(3-aminopropyl)-3-ethyl-1-(4-methoxyphenyl)-3-methylurea
CID 79160191
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methoxy-N-methylaniline
CID 110455054
carbamic acid;2-[N-(2-hydroxyethyl)-4-methoxyanilino]ethanol
CID 71435780
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
4-methoxy-N,N-bis(methoxymethyl)aniline
CID 89468483

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)propane-1,3-diamine?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)propane-1,3-diamine (CID 43136363) is N'-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)propane-1,3-diamine?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)propane-1,3-diamine is COc1ccc(N(CCCN)CCN(C)C)cc1.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)propane-1,3-diamine?
The InChIKey is LHRXZZOIKGHOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-16(2)11-12-17(10-4-9-15)13-5-7-14(18-3)8-6-13/h5-8H,4,9-12,15H2,1-3H3.
What are the key properties of N'-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)propane-1,3-diamine?
N'-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)propane-1,3-diamine has a molecular weight of 251.37 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 43136363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).