(2R)-4-methyl-1-phenylmethoxy-N-propan-2-ylpentan-2-amine

C16H27NO — CID 168776237

IUPAC(2R)-4-methyl-1-phenylmethoxy-N-propan-2-ylpentan-2-amine
SMILESCC(C)C[C@H](COCc1ccccc1)NC(C)C
InChIInChI=1S/C16H27NO/c1-13(2)10-16(17-14(3)4)12-18-11-15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3/t16-/m1/s1
InChIKeyPLLNTTOINZUNCJ-MRXNPFEDSA-N
MW249.40 g/mol
LogP3.62
Rot. Bonds8

About (2R)-4-methyl-1-phenylmethoxy-N-propan-2-ylpentan-2-amine

(2R)-4-methyl-1-phenylmethoxy-N-propan-2-ylpentan-2-amine (PubChem CID 168776237) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (2R)-4-methyl-1-phenylmethoxy-N-propan-2-ylpentan-2-amine.

Molecular Properties

Compound Name(2R)-4-methyl-1-phenylmethoxy-N-propan-2-ylpentan-2-amine
PubChem CID168776237
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(2R)-4-methyl-1-phenylmethoxy-N-propan-2-ylpentan-2-amine
SMILESCC(C)C[C@H](COCc1ccccc1)NC(C)C
InChIInChI=1S/C16H27NO/c1-13(2)10-16(17-14(3)4)12-18-11-15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3/t16-/m1/s1
InChIKeyPLLNTTOINZUNCJ-MRXNPFEDSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1,3-bis(phenylmethoxy)propan-2-amine
CID 20583824
4-methyl-1-phenylmethoxypentan-2-amine
CID 13228785
(2S)-4-methyl-1-phenylmethoxypentan-2-amine
CID 13228786
(2S)-N-[(2-methoxyphenyl)methyl]-4-methyl-1-phenylmethoxypentan-2-amine
CID 59084840
(2S)-4-methyl-1-phenylmethoxypentan-2-amine;sulfane
CID 158419681
(2S)-4-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-phenylmethoxypentan-2-amine
CID 59085012
4-methyl-2-(phenylmethoxymethyl)pentanal
CID 141220346
(2R)-N,N-dimethyl-1-phenylmethoxypropan-2-amine
CID 165125005
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
1,1-difluoro-N-(1-phenylmethoxypropan-2-yl)propan-2-amine
CID 130950125
(2R,3S)-2-(2-methylpropyl)-4-phenylmethoxybutane-1,3-diol
CID 102572212
benzyl N-[1-(2-amino-2-oxoethoxy)-4-methylpentan-2-yl]carbamate
CID 23316640

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-1-phenylmethoxy-N-propan-2-ylpentan-2-amine?
The IUPAC name of (2R)-4-methyl-1-phenylmethoxy-N-propan-2-ylpentan-2-amine (CID 168776237) is (2R)-4-methyl-1-phenylmethoxy-N-propan-2-ylpentan-2-amine.
What is the SMILES notation for (2R)-4-methyl-1-phenylmethoxy-N-propan-2-ylpentan-2-amine?
The canonical SMILES for (2R)-4-methyl-1-phenylmethoxy-N-propan-2-ylpentan-2-amine is CC(C)C[C@H](COCc1ccccc1)NC(C)C.
What is the InChIKey of (2R)-4-methyl-1-phenylmethoxy-N-propan-2-ylpentan-2-amine?
The InChIKey is PLLNTTOINZUNCJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H27NO/c1-13(2)10-16(17-14(3)4)12-18-11-15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3/t16-/m1/s1.
What are the key properties of (2R)-4-methyl-1-phenylmethoxy-N-propan-2-ylpentan-2-amine?
(2R)-4-methyl-1-phenylmethoxy-N-propan-2-ylpentan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-1-phenylmethoxy-N-propan-2-ylpentan-2-amine is sourced from PubChem (CID 168776237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).