2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine

C17H29NO — CID 2299544

IUPAC2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine
SMILESCc1cc(OCCCNC(C)(C)C)ccc1C(C)C
InChIInChI=1S/C17H29NO/c1-13(2)16-9-8-15(12-14(16)3)19-11-7-10-18-17(4,5)6/h8-9,12-13,18H,7,10-11H2,1-6H3
InChIKeyHQRLMIWFXANIIP-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.28
Rot. Bonds6

About 2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine

2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine (PubChem CID 2299544) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine
PubChem CID2299544
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine
SMILESCc1cc(OCCCNC(C)(C)C)ccc1C(C)C
InChIInChI=1S/C17H29NO/c1-13(2)16-9-8-15(12-14(16)3)19-11-7-10-18-17(4,5)6/h8-9,12-13,18H,7,10-11H2,1-6H3
InChIKeyHQRLMIWFXANIIP-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.28
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

N-tert-butyl-5-(3-methyl-4-propan-2-ylphenoxy)pentan-1-amine
CID 63498749
4-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55077310
3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 60690385
3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
CID 43509991
(2S)-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 2182357
N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]hexan-1-amine
CID 60661709
3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]aniline
CID 63505257
5-(3-methyl-4-propan-2-ylphenoxy)-N-propylpentan-1-amine
CID 63498576
N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]butan-1-amine;oxalic acid
CID 2924198
N'-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]ethane-1,2-diamine;oxalic acid
CID 2922383
butyl-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]azanium
CID 2581324
2-[2-hydroxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol
CID 60686361

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine (CID 2299544) is 2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine is Cc1cc(OCCCNC(C)(C)C)ccc1C(C)C.
What is the InChIKey of 2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine?
The InChIKey is HQRLMIWFXANIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-13(2)16-9-8-15(12-14(16)3)19-11-7-10-18-17(4,5)6/h8-9,12-13,18H,7,10-11H2,1-6H3.
What are the key properties of 2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine?
2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine is sourced from PubChem (CID 2299544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).