4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-propan-2-ylaniline

C18H24N2O — CID 43276120

IUPAC4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-propan-2-ylaniline
SMILESCOc1cccc(CN(c2ccc(CN)cc2)C(C)C)c1
InChIInChI=1S/C18H24N2O/c1-14(2)20(17-9-7-15(12-19)8-10-17)13-16-5-4-6-18(11-16)21-3/h4-11,14H,12-13,19H2,1-3H3
InChIKeyWWUTZEVSIGWXMI-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.57
Rot. Bonds6

About 4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-propan-2-ylaniline

4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-propan-2-ylaniline (PubChem CID 43276120) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-propan-2-ylaniline
PubChem CID43276120
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-propan-2-ylaniline
SMILESCOc1cccc(CN(c2ccc(CN)cc2)C(C)C)c1
InChIInChI=1S/C18H24N2O/c1-14(2)20(17-9-7-15(12-19)8-10-17)13-16-5-4-6-18(11-16)21-3/h4-11,14H,12-13,19H2,1-3H3
InChIKeyWWUTZEVSIGWXMI-UHFFFAOYSA-N
XLogP3.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylaniline
CID 82915692
2-N-[(3-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420082
methyl 4-[[[4-(aminomethyl)phenyl]methyl-[(3-methoxyphenyl)methyl]amino]methyl]benzoate
CID 142934608
4-(aminomethyl)-N-(3-methoxypropyl)-N-propan-2-ylaniline
CID 54935598
N-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylaniline
CID 154621165
4-(aminomethyl)-N-[(5-methyl-3-pyridinyl)methyl]-N-propan-2-ylaniline
CID 102880574
N'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43136389
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 26509899
[4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934531
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
4-methoxy-N-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 162612064
N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 70971804

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-propan-2-ylaniline?
The IUPAC name of 4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-propan-2-ylaniline (CID 43276120) is 4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-propan-2-ylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-propan-2-ylaniline?
The canonical SMILES for 4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-propan-2-ylaniline is COc1cccc(CN(c2ccc(CN)cc2)C(C)C)c1.
What is the InChIKey of 4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-propan-2-ylaniline?
The InChIKey is WWUTZEVSIGWXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14(2)20(17-9-7-15(12-19)8-10-17)13-16-5-4-6-18(11-16)21-3/h4-11,14H,12-13,19H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-propan-2-ylaniline?
4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-propan-2-ylaniline has a molecular weight of 284.40 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-propan-2-ylaniline is sourced from PubChem (CID 43276120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).