4-(aminomethyl)-N-(2-propan-2-yloxyethyl)-N-propylaniline

C15H26N2O — CID 54958363

IUPAC4-(aminomethyl)-N-(2-propan-2-yloxyethyl)-N-propylaniline
SMILESCCCN(CCOC(C)C)c1ccc(CN)cc1
InChIInChI=1S/C15H26N2O/c1-4-9-17(10-11-18-13(2)3)15-7-5-14(12-16)6-8-15/h5-8,13H,4,9-12,16H2,1-3H3
InChIKeyYUZJCSSAKKJDLT-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.79
Rot. Bonds8

About 4-(aminomethyl)-N-(2-propan-2-yloxyethyl)-N-propylaniline

4-(aminomethyl)-N-(2-propan-2-yloxyethyl)-N-propylaniline (PubChem CID 54958363) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-propan-2-yloxyethyl)-N-propylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-propan-2-yloxyethyl)-N-propylaniline
PubChem CID54958363
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-(aminomethyl)-N-(2-propan-2-yloxyethyl)-N-propylaniline
SMILESCCCN(CCOC(C)C)c1ccc(CN)cc1
InChIInChI=1S/C15H26N2O/c1-4-9-17(10-11-18-13(2)3)15-7-5-14(12-16)6-8-15/h5-8,13H,4,9-12,16H2,1-3H3
InChIKeyYUZJCSSAKKJDLT-UHFFFAOYSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-(aminomethyl)-N-(2-propan-2-yloxyethyl)-N-propylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-N-(2-ethoxyethyl)-N-propylaniline
CID 43457117
4-(aminomethyl)-N-(3-methylbutyl)-N-propylaniline
CID 43275905
4-(aminomethyl)-N-octyl-N-propylaniline
CID 43275934
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
4-(aminomethyl)-N-propyl-N-(pyrimidin-2-ylmethyl)aniline
CID 62699715
4-[[4-(dipropylamino)phenyl]-propan-2-yloxymethyl]-N,N-dipropylaniline
CID 139775175
4-[[4-(dipropylamino)phenyl]-propoxymethyl]-N,N-dipropylaniline
CID 139775188
4-(aminomethyl)-N-ethyl-N-octylaniline
CID 43275853
N-ethyl-3,4-difluoro-N-(2-propan-2-yloxyethyl)aniline
CID 78903119
4-N,4-N-dipropylbenzene-1,4-diamine
CID 10219779
(1S,2S)-1,2-bis[4-(dipropylamino)phenyl]ethane-1,2-diamine
CID 67291446
N-[[4-(aminomethyl)phenyl]methyl]-N-methylpropan-1-amine
CID 43270951

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-propan-2-yloxyethyl)-N-propylaniline?
The IUPAC name of 4-(aminomethyl)-N-(2-propan-2-yloxyethyl)-N-propylaniline (CID 54958363) is 4-(aminomethyl)-N-(2-propan-2-yloxyethyl)-N-propylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-(2-propan-2-yloxyethyl)-N-propylaniline?
The canonical SMILES for 4-(aminomethyl)-N-(2-propan-2-yloxyethyl)-N-propylaniline is CCCN(CCOC(C)C)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(2-propan-2-yloxyethyl)-N-propylaniline?
The InChIKey is YUZJCSSAKKJDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-9-17(10-11-18-13(2)3)15-7-5-14(12-16)6-8-15/h5-8,13H,4,9-12,16H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-(2-propan-2-yloxyethyl)-N-propylaniline?
4-(aminomethyl)-N-(2-propan-2-yloxyethyl)-N-propylaniline has a molecular weight of 250.39 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-propan-2-yloxyethyl)-N-propylaniline is sourced from PubChem (CID 54958363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).