2-methyl-5-phenoxy-N,2-di(propan-2-yl)pentan-1-amine

C18H31NO — CID 83151072

IUPAC2-methyl-5-phenoxy-N,2-di(propan-2-yl)pentan-1-amine
SMILESCC(C)NCC(C)(CCCOc1ccccc1)C(C)C
InChIInChI=1S/C18H31NO/c1-15(2)18(5,14-19-16(3)4)12-9-13-20-17-10-7-6-8-11-17/h6-8,10-11,15-16,19H,9,12-14H2,1-5H3
InChIKeyPMNVXSVNGVWVLC-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.51
Rot. Bonds9

About 2-methyl-5-phenoxy-N,2-di(propan-2-yl)pentan-1-amine

2-methyl-5-phenoxy-N,2-di(propan-2-yl)pentan-1-amine (PubChem CID 83151072) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-methyl-5-phenoxy-N,2-di(propan-2-yl)pentan-1-amine.

Molecular Properties

Compound Name2-methyl-5-phenoxy-N,2-di(propan-2-yl)pentan-1-amine
PubChem CID83151072
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-methyl-5-phenoxy-N,2-di(propan-2-yl)pentan-1-amine
SMILESCC(C)NCC(C)(CCCOc1ccccc1)C(C)C
InChIInChI=1S/C18H31NO/c1-15(2)18(5,14-19-16(3)4)12-9-13-20-17-10-7-6-8-11-17/h6-8,10-11,15-16,19H,9,12-14H2,1-5H3
InChIKeyPMNVXSVNGVWVLC-UHFFFAOYSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-2-methyl-4-phenoxy-N-propan-2-ylbutan-1-amine
CID 62724275
N-(2-methoxyethyl)-2,3-dimethyl-2-(2-phenoxyethyl)butan-1-amine
CID 83151570
N-[2-(3-phenoxypropoxy)ethyl]propan-2-amine
CID 62937312
2,3-dimethyl-1-(2-phenoxyethylamino)butan-2-ol
CID 114447528
4,4-dimethylpentoxybenzene;fluoromethane
CID 158387745
2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine
CID 112743218
3,4-dimethyl-1-phenoxypentan-3-amine
CID 114998451
3-(4-phenylmethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 13338480
N-(3-phenoxypropyl)-2-(propan-2-ylamino)acetamide
CID 62378949
1-chloro-N-(3-phenoxypropyl)propan-2-amine
CID 65026073
4-methyl-N-(3-phenoxypropyl)pentan-2-amine
CID 62380766
5-chloro-2,2-dimethyl-N-(3-phenoxypropyl)pentan-1-amine
CID 106141093

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenoxy-N,2-di(propan-2-yl)pentan-1-amine?
The IUPAC name of 2-methyl-5-phenoxy-N,2-di(propan-2-yl)pentan-1-amine (CID 83151072) is 2-methyl-5-phenoxy-N,2-di(propan-2-yl)pentan-1-amine.
What is the SMILES notation for 2-methyl-5-phenoxy-N,2-di(propan-2-yl)pentan-1-amine?
The canonical SMILES for 2-methyl-5-phenoxy-N,2-di(propan-2-yl)pentan-1-amine is CC(C)NCC(C)(CCCOc1ccccc1)C(C)C.
What is the InChIKey of 2-methyl-5-phenoxy-N,2-di(propan-2-yl)pentan-1-amine?
The InChIKey is PMNVXSVNGVWVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-15(2)18(5,14-19-16(3)4)12-9-13-20-17-10-7-6-8-11-17/h6-8,10-11,15-16,19H,9,12-14H2,1-5H3.
What are the key properties of 2-methyl-5-phenoxy-N,2-di(propan-2-yl)pentan-1-amine?
2-methyl-5-phenoxy-N,2-di(propan-2-yl)pentan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenoxy-N,2-di(propan-2-yl)pentan-1-amine is sourced from PubChem (CID 83151072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).