N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine

C13H21NO — CID 60751693

IUPACN-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCOCc1ccc(CNCC(C)C)cc1
InChIInChI=1S/C13H21NO/c1-11(2)8-14-9-12-4-6-13(7-5-12)10-15-3/h4-7,11,14H,8-10H2,1-3H3
InChIKeyRKXHAKOEKKNXMJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.58
Rot. Bonds6

About N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine

N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 60751693) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID60751693
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCOCc1ccc(CNCC(C)C)cc1
InChIInChI=1S/C13H21NO/c1-11(2)8-14-9-12-4-6-13(7-5-12)10-15-3/h4-7,11,14H,8-10H2,1-3H3
InChIKeyRKXHAKOEKKNXMJ-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 103884134
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylsulfinylpropan-1-amine
CID 115764049
2-methyl-N-[[4-(pentan-2-yloxymethyl)phenyl]methyl]propan-1-amine
CID 102986816
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
2-hydroxy-3-[[4-(methoxymethyl)phenyl]methylamino]propanamide
CID 106170747
N-[(4-chlorophenyl)methyl]-1-[4-(methoxymethyl)phenyl]methanamine
CID 60753020
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62448969
N-[[4-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 63492309
N-benzyl-2-methylpropan-1-amine;ethane
CID 142079167
2-methyl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103437435
N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 115523367

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine (CID 60751693) is N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine is COCc1ccc(CNCC(C)C)cc1.
What is the InChIKey of N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is RKXHAKOEKKNXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(2)8-14-9-12-4-6-13(7-5-12)10-15-3/h4-7,11,14H,8-10H2,1-3H3.
What are the key properties of N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine?
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 60751693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).