N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethylpropan-1-amine

C17H30N2 — CID 62421672

IUPACN-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)Cc1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C17H30N2/c1-14(2)12-19(6)13-16-9-7-15(8-10-16)11-18-17(3,4)5/h7-10,14,18H,11-13H2,1-6H3
InChIKeyYELVQNHGKBFNTK-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.66
Rot. Bonds6

About N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethylpropan-1-amine

N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethylpropan-1-amine (PubChem CID 62421672) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethylpropan-1-amine
PubChem CID62421672
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)Cc1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C17H30N2/c1-14(2)12-19(6)13-16-9-7-15(8-10-16)11-18-17(3,4)5/h7-10,14,18H,11-13H2,1-6H3
InChIKeyYELVQNHGKBFNTK-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine
CID 62432288
2-methyl-N-[[4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenyl]methyl]propan-2-amine
CID 115987875
N-[[4-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 63657541
2-methyl-N-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]propan-2-amine
CID 62424640
N-[(4-ethenylphenyl)methyl]-N,2-dimethylpropan-1-amine
CID 144849725
2-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]acetic acid
CID 105345659
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]thiohydroxylamine
CID 155479405
2-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]propan-2-amine
CID 59597807
N-[[3-bromo-4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 102771946
N-[2-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 105346897
1-[[4-[(tert-butylamino)methyl]phenyl]methoxy]-N,N,2-trimethylpropan-2-amine
CID 79670044

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethylpropan-1-amine?
The IUPAC name of N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethylpropan-1-amine (CID 62421672) is N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethylpropan-1-amine is CC(C)CN(C)Cc1ccc(CNC(C)(C)C)cc1.
What is the InChIKey of N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethylpropan-1-amine?
The InChIKey is YELVQNHGKBFNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-14(2)12-19(6)13-16-9-7-15(8-10-16)11-18-17(3,4)5/h7-10,14,18H,11-13H2,1-6H3.
What are the key properties of N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethylpropan-1-amine?
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethylpropan-1-amine has a molecular weight of 262.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 62421672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).