4-[[4-(dipropylamino)phenyl]-propan-2-yloxymethyl]-N,N-dipropylaniline

C28H44N2O — CID 139775175

IUPAC4-[[4-(dipropylamino)phenyl]-propan-2-yloxymethyl]-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(C(OC(C)C)c2ccc(N(CCC)CCC)cc2)cc1
InChIInChI=1S/C28H44N2O/c1-7-19-29(20-8-2)26-15-11-24(12-16-26)28(31-23(5)6)25-13-17-27(18-14-25)30(21-9-3)22-10-4/h11-18,23,28H,7-10,19-22H2,1-6H3
InChIKeyFERIMNXUWJHJQK-UHFFFAOYSA-N
MW424.67 g/mol
LogP7.45
Rot. Bonds14

About 4-[[4-(dipropylamino)phenyl]-propan-2-yloxymethyl]-N,N-dipropylaniline

4-[[4-(dipropylamino)phenyl]-propan-2-yloxymethyl]-N,N-dipropylaniline (PubChem CID 139775175) has the molecular formula C28H44N2O and a molecular weight of 424.67 g/mol. Its IUPAC name is 4-[[4-(dipropylamino)phenyl]-propan-2-yloxymethyl]-N,N-dipropylaniline.

Molecular Properties

Compound Name4-[[4-(dipropylamino)phenyl]-propan-2-yloxymethyl]-N,N-dipropylaniline
PubChem CID139775175
Molecular FormulaC28H44N2O
Molecular Weight424.67 g/mol
Exact Mass424.35
IUPAC Name4-[[4-(dipropylamino)phenyl]-propan-2-yloxymethyl]-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(C(OC(C)C)c2ccc(N(CCC)CCC)cc2)cc1
InChIInChI=1S/C28H44N2O/c1-7-19-29(20-8-2)26-15-11-24(12-16-26)28(31-23(5)6)25-13-17-27(18-14-25)30(21-9-3)22-10-4/h11-18,23,28H,7-10,19-22H2,1-6H3
InChIKeyFERIMNXUWJHJQK-UHFFFAOYSA-N
XLogP7.45
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.67
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(dipropylamino)phenyl]-propoxymethyl]-N,N-dipropylaniline
CID 139775188
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
(1S,2S)-1,2-bis[4-(dipropylamino)phenyl]ethane-1,2-diamine
CID 67291446
ethane;N-ethyl-4-propan-2-yl-N-propylaniline
CID 145169701
4-(1-aminoethyl)-N-ethyl-N-propylaniline
CID 43268863
propan-2-yl 4-(dipropylamino)benzoate
CID 139770172
4-N,4-N-dipropylbenzene-1,4-diamine
CID 10219779
ethane;4-methyl-N,N-dipropylaniline
CID 143993396
4-bromo-N,N-dipropylaniline
CID 10445113
4-(aminomethyl)-N-(2-propan-2-yloxyethyl)-N-propylaniline
CID 54958363
N,N-bis(2-methoxyethyl)-4-[1-(propylamino)ethyl]aniline
CID 61418340
4-[[4-(dibutylamino)phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 15131768

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dipropylamino)phenyl]-propan-2-yloxymethyl]-N,N-dipropylaniline?
The IUPAC name of 4-[[4-(dipropylamino)phenyl]-propan-2-yloxymethyl]-N,N-dipropylaniline (CID 139775175) is 4-[[4-(dipropylamino)phenyl]-propan-2-yloxymethyl]-N,N-dipropylaniline.
What is the SMILES notation for 4-[[4-(dipropylamino)phenyl]-propan-2-yloxymethyl]-N,N-dipropylaniline?
The canonical SMILES for 4-[[4-(dipropylamino)phenyl]-propan-2-yloxymethyl]-N,N-dipropylaniline is CCCN(CCC)c1ccc(C(OC(C)C)c2ccc(N(CCC)CCC)cc2)cc1.
What is the InChIKey of 4-[[4-(dipropylamino)phenyl]-propan-2-yloxymethyl]-N,N-dipropylaniline?
The InChIKey is FERIMNXUWJHJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N2O/c1-7-19-29(20-8-2)26-15-11-24(12-16-26)28(31-23(5)6)25-13-17-27(18-14-25)30(21-9-3)22-10-4/h11-18,23,28H,7-10,19-22H2,1-6H3.
What are the key properties of 4-[[4-(dipropylamino)phenyl]-propan-2-yloxymethyl]-N,N-dipropylaniline?
4-[[4-(dipropylamino)phenyl]-propan-2-yloxymethyl]-N,N-dipropylaniline has a molecular weight of 424.67 g/mol, XLogP of 7.45, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dipropylamino)phenyl]-propan-2-yloxymethyl]-N,N-dipropylaniline is sourced from PubChem (CID 139775175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).