2-methyl-N-(2-methylpropyl)-N-[[2-(propylaminomethyl)phenyl]methyl]propan-1-amine

C19H34N2 — CID 63491895

IUPAC2-methyl-N-(2-methylpropyl)-N-[[2-(propylaminomethyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1CN(CC(C)C)CC(C)C
InChIInChI=1S/C19H34N2/c1-6-11-20-12-18-9-7-8-10-19(18)15-21(13-16(2)3)14-17(4)5/h7-10,16-17,20H,6,11-15H2,1-5H3
InChIKeyOPTWQAPZMAFYBE-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.30
Rot. Bonds10

About 2-methyl-N-(2-methylpropyl)-N-[[2-(propylaminomethyl)phenyl]methyl]propan-1-amine

2-methyl-N-(2-methylpropyl)-N-[[2-(propylaminomethyl)phenyl]methyl]propan-1-amine (PubChem CID 63491895) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-N-[[2-(propylaminomethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-N-[[2-(propylaminomethyl)phenyl]methyl]propan-1-amine
PubChem CID63491895
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name2-methyl-N-(2-methylpropyl)-N-[[2-(propylaminomethyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1CN(CC(C)C)CC(C)C
InChIInChI=1S/C19H34N2/c1-6-11-20-12-18-9-7-8-10-19(18)15-21(13-16(2)3)14-17(4)5/h7-10,16-17,20H,6,11-15H2,1-5H3
InChIKeyOPTWQAPZMAFYBE-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 62421624
2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetohydrazide
CID 115465400
N,N-bis(2-methylpropyl)-3-(propylaminomethyl)pyridin-2-amine
CID 62283165
N-ethyl-2-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine
CID 113314749
2-[[bis(2-methylpropyl)amino]methyl]benzaldehyde
CID 91656478
3-[2-(propylaminomethyl)phenyl]propanal
CID 135192153
N,2-dimethyl-N-[2-[2-(propylaminomethyl)phenoxy]ethyl]propan-1-amine
CID 62420921
methyl 2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetate
CID 115462632
N'-[[2-(ethylaminomethyl)phenyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62436903
N-methyl-N-[[2-(propylaminomethyl)phenyl]methyl]cyclohexanamine
CID 62422996
N-[(2-ethylphenyl)methyl]-5-methylhexan-1-amine
CID 113287301
N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]propan-1-amine
CID 62422900

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-N-[[2-(propylaminomethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-N-[[2-(propylaminomethyl)phenyl]methyl]propan-1-amine (CID 63491895) is 2-methyl-N-(2-methylpropyl)-N-[[2-(propylaminomethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-N-[[2-(propylaminomethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-N-[[2-(propylaminomethyl)phenyl]methyl]propan-1-amine is CCCNCc1ccccc1CN(CC(C)C)CC(C)C.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-N-[[2-(propylaminomethyl)phenyl]methyl]propan-1-amine?
The InChIKey is OPTWQAPZMAFYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-6-11-20-12-18-9-7-8-10-19(18)15-21(13-16(2)3)14-17(4)5/h7-10,16-17,20H,6,11-15H2,1-5H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-N-[[2-(propylaminomethyl)phenyl]methyl]propan-1-amine?
2-methyl-N-(2-methylpropyl)-N-[[2-(propylaminomethyl)phenyl]methyl]propan-1-amine has a molecular weight of 290.50 g/mol, XLogP of 4.30, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-N-[[2-(propylaminomethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63491895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).