1-(3,5-ditert-butylphenyl)-N-methylmethanamine;1-(3,5-dimethylphenyl)-N-methylmethanamine

C26H42N2 — CID 159168740

IUPAC1-(3,5-ditert-butylphenyl)-N-methylmethanamine;1-(3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNCc1cc(C(C)(C)C)cc(C(C)(C)C)c1.CNCc1cc(C)cc(C)c1
InChIInChI=1S/C16H27N.C10H15N/c1-15(2,3)13-8-12(11-17-7)9-14(10-13)16(4,5)6;1-8-4-9(2)6-10(5-8)7-11-3/h8-10,17H,11H2,1-7H3;4-6,11H,7H2,1-3H3
InChIKeyKLKJSRVHGJQJSG-UHFFFAOYSA-N
MW382.64 g/mol
LogP6.02
Rot. Bonds4

About 1-(3,5-ditert-butylphenyl)-N-methylmethanamine;1-(3,5-dimethylphenyl)-N-methylmethanamine

1-(3,5-ditert-butylphenyl)-N-methylmethanamine;1-(3,5-dimethylphenyl)-N-methylmethanamine (PubChem CID 159168740) has the molecular formula C26H42N2 and a molecular weight of 382.64 g/mol. Its IUPAC name is 1-(3,5-ditert-butylphenyl)-N-methylmethanamine;1-(3,5-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-ditert-butylphenyl)-N-methylmethanamine;1-(3,5-dimethylphenyl)-N-methylmethanamine
PubChem CID159168740
Molecular FormulaC26H42N2
Molecular Weight382.64 g/mol
Exact Mass382.33
IUPAC Name1-(3,5-ditert-butylphenyl)-N-methylmethanamine;1-(3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNCc1cc(C(C)(C)C)cc(C(C)(C)C)c1.CNCc1cc(C)cc(C)c1
InChIInChI=1S/C16H27N.C10H15N/c1-15(2,3)13-8-12(11-17-7)9-14(10-13)16(4,5)6;1-8-4-9(2)6-10(5-8)7-11-3/h8-10,17H,11H2,1-7H3;4-6,11H,7H2,1-3H3
InChIKeyKLKJSRVHGJQJSG-UHFFFAOYSA-N
XLogP6.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.64
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-ditert-butylphenyl)-N-methylmethanamine
CID 59420108
2-chloro-1,3-bis[(3,5-ditert-butylphenyl)methyl]-5-methylbenzene
CID 162242275
1-[3-[difluoro(phosphanyl)methyl]-5-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 142152838
1-[3,5-dibromo-4-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741740
1-tert-butyl-3-methyl-5-(trideuteriomethyl)benzene
CID 165028726
1-[(3,5-dimethylphenyl)methylamino]-2-methylpropan-2-ol
CID 63932078
1-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 65026563
1-tert-butyl-3,5-dimethylbenzene;propanal
CID 174916459
N-[(3,5-dimethylphenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79551848
tert-butylbenzene;1-tert-butyl-3,5-dimethylbenzene
CID 165052129
benzene-1,4-diol;1,3-ditert-butyl-5-methylbenzene
CID 174888195
4-(3-tert-butyl-5-methylphenyl)butanoic acid
CID 56976485

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-ditert-butylphenyl)-N-methylmethanamine;1-(3,5-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3,5-ditert-butylphenyl)-N-methylmethanamine;1-(3,5-dimethylphenyl)-N-methylmethanamine (CID 159168740) is 1-(3,5-ditert-butylphenyl)-N-methylmethanamine;1-(3,5-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-ditert-butylphenyl)-N-methylmethanamine;1-(3,5-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,5-ditert-butylphenyl)-N-methylmethanamine;1-(3,5-dimethylphenyl)-N-methylmethanamine is CNCc1cc(C(C)(C)C)cc(C(C)(C)C)c1.CNCc1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-ditert-butylphenyl)-N-methylmethanamine;1-(3,5-dimethylphenyl)-N-methylmethanamine?
The InChIKey is KLKJSRVHGJQJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N.C10H15N/c1-15(2,3)13-8-12(11-17-7)9-14(10-13)16(4,5)6;1-8-4-9(2)6-10(5-8)7-11-3/h8-10,17H,11H2,1-7H3;4-6,11H,7H2,1-3H3.
What are the key properties of 1-(3,5-ditert-butylphenyl)-N-methylmethanamine;1-(3,5-dimethylphenyl)-N-methylmethanamine?
1-(3,5-ditert-butylphenyl)-N-methylmethanamine;1-(3,5-dimethylphenyl)-N-methylmethanamine has a molecular weight of 382.64 g/mol, XLogP of 6.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-ditert-butylphenyl)-N-methylmethanamine;1-(3,5-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 159168740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).