N-tert-butyl-2-methyl-2-(phenylmethoxymethyl)pentan-1-amine

C18H31NO — CID 102940499

IUPACN-tert-butyl-2-methyl-2-(phenylmethoxymethyl)pentan-1-amine
SMILESCCCC(C)(CNC(C)(C)C)COCc1ccccc1
InChIInChI=1S/C18H31NO/c1-6-12-18(5,14-19-17(2,3)4)15-20-13-16-10-8-7-9-11-16/h7-11,19H,6,12-15H2,1-5H3
InChIKeyDPRWLCLGPRLHTF-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.40
Rot. Bonds8

About N-tert-butyl-2-methyl-2-(phenylmethoxymethyl)pentan-1-amine

N-tert-butyl-2-methyl-2-(phenylmethoxymethyl)pentan-1-amine (PubChem CID 102940499) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-2-(phenylmethoxymethyl)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-2-(phenylmethoxymethyl)pentan-1-amine
PubChem CID102940499
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-tert-butyl-2-methyl-2-(phenylmethoxymethyl)pentan-1-amine
SMILESCCCC(C)(CNC(C)(C)C)COCc1ccccc1
InChIInChI=1S/C18H31NO/c1-6-12-18(5,14-19-17(2,3)4)15-20-13-16-10-8-7-9-11-16/h7-11,19H,6,12-15H2,1-5H3
InChIKeyDPRWLCLGPRLHTF-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-methoxy-2-(methoxymethyl)-2-methylpropoxy]methylbenzene
CID 166487361
2-methyl-2-(phenylmethoxymethyl)butan-1-amine
CID 102940469
2-methyl-2-(2-phenylmethoxyethyl)pentan-1-amine
CID 130537173
2-methyl-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propan-2-amine
CID 62446348
N-[2-methyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine
CID 102940521
3,3-dimethyl-4-phenylmethoxybutan-1-amine
CID 122238724
(213C)ethoxymethylbenzene
CID 87947851
1-(ethylamino)-2-methyl-3-phenylmethoxypropan-2-ol
CID 66334873
4-methylheptan-4-yloxymethylbenzene
CID 20782055
formaldehyde;2-methyl-5-(methylamino)-2-(phenylmethoxymethyl)pentan-1-ol
CID 178018930
2,2-dimethyl-3-phenylmethoxypropanoic acid
CID 13478288
N-(2-methoxyethyl)-2-methyl-1-phenylmethoxypropan-2-amine
CID 131036808

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-2-(phenylmethoxymethyl)pentan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-2-(phenylmethoxymethyl)pentan-1-amine (CID 102940499) is N-tert-butyl-2-methyl-2-(phenylmethoxymethyl)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-2-(phenylmethoxymethyl)pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-2-(phenylmethoxymethyl)pentan-1-amine is CCCC(C)(CNC(C)(C)C)COCc1ccccc1.
What is the InChIKey of N-tert-butyl-2-methyl-2-(phenylmethoxymethyl)pentan-1-amine?
The InChIKey is DPRWLCLGPRLHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-12-18(5,14-19-17(2,3)4)15-20-13-16-10-8-7-9-11-16/h7-11,19H,6,12-15H2,1-5H3.
What are the key properties of N-tert-butyl-2-methyl-2-(phenylmethoxymethyl)pentan-1-amine?
N-tert-butyl-2-methyl-2-(phenylmethoxymethyl)pentan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-2-(phenylmethoxymethyl)pentan-1-amine is sourced from PubChem (CID 102940499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).