N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine

C16H28N2 — CID 22251747

IUPACN-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C16H28N2/c1-15(2,3)17-11-13-7-9-14(10-8-13)12-18-16(4,5)6/h7-10,17-18H,11-12H2,1-6H3
InChIKeyZZKUNJARGOJVQS-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.46
Rot. Bonds4

About N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine

N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 22251747) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID22251747
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C16H28N2/c1-15(2,3)17-11-13-7-9-14(10-8-13)12-18-16(4,5)6/h7-10,17-18H,11-12H2,1-6H3
InChIKeyZZKUNJARGOJVQS-UHFFFAOYSA-N
XLogP3.46
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]propan-2-amine
CID 59597807
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]thiohydroxylamine
CID 155479405
4-[(tert-butylamino)methyl]-N,N-diethylaniline
CID 4719207
2-methyl-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propan-2-amine
CID 62446348
2-methyl-N-[(4-propylsulfanylphenyl)methyl]propan-2-amine
CID 63804855
1-[4-[(tert-butylamino)methyl]phenyl]-4,4-dimethylpentane-2-thione
CID 147695400
N-benzyl-2-methylpropan-2-amine;guanidine
CID 161475592
N-[[4-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 81106411
N-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63061073
1-[4-[(tert-butylamino)methyl]phenyl]sulfanyl-2-methylpropan-2-ol
CID 113384910
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethylpropan-1-amine
CID 62421672
4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide
CID 146634151

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine (CID 22251747) is N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(CNC(C)(C)C)cc1.
What is the InChIKey of N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZZKUNJARGOJVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-15(2,3)17-11-13-7-9-14(10-8-13)12-18-16(4,5)6/h7-10,17-18H,11-12H2,1-6H3.
What are the key properties of N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine?
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 248.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 22251747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).