N-tert-butyl-4-methoxy-2-[(4-methylphenyl)methyl]butan-1-amine

C17H29NO — CID 62514690

IUPACN-tert-butyl-4-methoxy-2-[(4-methylphenyl)methyl]butan-1-amine
SMILESCOCCC(CNC(C)(C)C)Cc1ccc(C)cc1
InChIInChI=1S/C17H29NO/c1-14-6-8-15(9-7-14)12-16(10-11-19-5)13-18-17(2,3)4/h6-9,16,18H,10-13H2,1-5H3
InChIKeyWJVPETJVCZSTKU-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.58
Rot. Bonds7

About N-tert-butyl-4-methoxy-2-[(4-methylphenyl)methyl]butan-1-amine

N-tert-butyl-4-methoxy-2-[(4-methylphenyl)methyl]butan-1-amine (PubChem CID 62514690) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-tert-butyl-4-methoxy-2-[(4-methylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-methoxy-2-[(4-methylphenyl)methyl]butan-1-amine
PubChem CID62514690
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-tert-butyl-4-methoxy-2-[(4-methylphenyl)methyl]butan-1-amine
SMILESCOCCC(CNC(C)(C)C)Cc1ccc(C)cc1
InChIInChI=1S/C17H29NO/c1-14-6-8-15(9-7-14)12-16(10-11-19-5)13-18-17(2,3)4/h6-9,16,18H,10-13H2,1-5H3
InChIKeyWJVPETJVCZSTKU-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-5-methoxy-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 62514515
N-tert-butyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 55195456
2-benzyl-N-tert-butyl-6-methoxyhexan-1-amine
CID 104649162
N-tert-butyl-2-[(3-fluorophenyl)methyl]-4-methoxybutan-1-amine
CID 62515251
N-tert-butyl-4-ethyl-2-[(4-methylphenyl)methyl]hexan-1-amine
CID 82925737
N-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine
CID 62530089
N-(2-methoxyethyl)-2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 62719047
N-ethyl-6-methoxy-2-[(4-methylphenyl)methyl]hexan-1-amine
CID 104649192
2-[(4-bromophenyl)methyl]-N-tert-butylpentan-1-amine
CID 55195646
2-[(4-bromophenyl)methyl]-4-methoxy-N-methylbutan-1-amine
CID 62514878
2-benzyl-N-tert-butyl-5-methoxy-5-methylhexan-1-amine
CID 103036645
N-tert-butyl-5-ethoxy-2-[(4-fluorophenyl)methyl]pentan-1-amine
CID 65180744

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methoxy-2-[(4-methylphenyl)methyl]butan-1-amine?
The IUPAC name of N-tert-butyl-4-methoxy-2-[(4-methylphenyl)methyl]butan-1-amine (CID 62514690) is N-tert-butyl-4-methoxy-2-[(4-methylphenyl)methyl]butan-1-amine.
What is the SMILES notation for N-tert-butyl-4-methoxy-2-[(4-methylphenyl)methyl]butan-1-amine?
The canonical SMILES for N-tert-butyl-4-methoxy-2-[(4-methylphenyl)methyl]butan-1-amine is COCCC(CNC(C)(C)C)Cc1ccc(C)cc1.
What is the InChIKey of N-tert-butyl-4-methoxy-2-[(4-methylphenyl)methyl]butan-1-amine?
The InChIKey is WJVPETJVCZSTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-14-6-8-15(9-7-14)12-16(10-11-19-5)13-18-17(2,3)4/h6-9,16,18H,10-13H2,1-5H3.
What are the key properties of N-tert-butyl-4-methoxy-2-[(4-methylphenyl)methyl]butan-1-amine?
N-tert-butyl-4-methoxy-2-[(4-methylphenyl)methyl]butan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methoxy-2-[(4-methylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 62514690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).