4-(aminomethyl)-N-(3-methoxypropyl)-N-propan-2-ylaniline

C14H24N2O — CID 54935598

IUPAC4-(aminomethyl)-N-(3-methoxypropyl)-N-propan-2-ylaniline
SMILESCOCCCN(c1ccc(CN)cc1)C(C)C
InChIInChI=1S/C14H24N2O/c1-12(2)16(9-4-10-17-3)14-7-5-13(11-15)6-8-14/h5-8,12H,4,9-11,15H2,1-3H3
InChIKeyZYBKBTFGAWFBKC-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.40
Rot. Bonds7

About 4-(aminomethyl)-N-(3-methoxypropyl)-N-propan-2-ylaniline

4-(aminomethyl)-N-(3-methoxypropyl)-N-propan-2-ylaniline (PubChem CID 54935598) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-methoxypropyl)-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-methoxypropyl)-N-propan-2-ylaniline
PubChem CID54935598
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-(aminomethyl)-N-(3-methoxypropyl)-N-propan-2-ylaniline
SMILESCOCCCN(c1ccc(CN)cc1)C(C)C
InChIInChI=1S/C14H24N2O/c1-12(2)16(9-4-10-17-3)14-7-5-13(11-15)6-8-14/h5-8,12H,4,9-11,15H2,1-3H3
InChIKeyZYBKBTFGAWFBKC-UHFFFAOYSA-N
XLogP2.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-[2-(3-methoxypropoxy)ethyl]-N-propan-2-ylaniline
CID 103178083
4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-propan-2-ylaniline
CID 43276120
2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-(1-methoxypropan-2-yl)acetamide
CID 61488232
N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 39149176
(1R)-1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol
CID 82951638
3-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propan-2-ylpropanamide
CID 62624496
4-(2-aminopropyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 63817248
N-(2-methoxyethyl)-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline
CID 82951035
N-[[4-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)butan-2-amine
CID 55001040
4-(aminomethyl)-N-butan-2-yl-N-ethylaniline
CID 43274064
4-(2-aminoethyl)-N-propan-2-yl-N-propylaniline
CID 63783737
1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanone
CID 82951599

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-methoxypropyl)-N-propan-2-ylaniline?
The IUPAC name of 4-(aminomethyl)-N-(3-methoxypropyl)-N-propan-2-ylaniline (CID 54935598) is 4-(aminomethyl)-N-(3-methoxypropyl)-N-propan-2-ylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-(3-methoxypropyl)-N-propan-2-ylaniline?
The canonical SMILES for 4-(aminomethyl)-N-(3-methoxypropyl)-N-propan-2-ylaniline is COCCCN(c1ccc(CN)cc1)C(C)C.
What is the InChIKey of 4-(aminomethyl)-N-(3-methoxypropyl)-N-propan-2-ylaniline?
The InChIKey is ZYBKBTFGAWFBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12(2)16(9-4-10-17-3)14-7-5-13(11-15)6-8-14/h5-8,12H,4,9-11,15H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-(3-methoxypropyl)-N-propan-2-ylaniline?
4-(aminomethyl)-N-(3-methoxypropyl)-N-propan-2-ylaniline has a molecular weight of 236.36 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-methoxypropyl)-N-propan-2-ylaniline is sourced from PubChem (CID 54935598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).