N-tert-butyl-5-(3-methyl-4-propan-2-ylphenoxy)pentan-1-amine

C19H33NO — CID 63498749

IUPACN-tert-butyl-5-(3-methyl-4-propan-2-ylphenoxy)pentan-1-amine
SMILESCc1cc(OCCCCCNC(C)(C)C)ccc1C(C)C
InChIInChI=1S/C19H33NO/c1-15(2)18-11-10-17(14-16(18)3)21-13-9-7-8-12-20-19(4,5)6/h10-11,14-15,20H,7-9,12-13H2,1-6H3
InChIKeyNTRJNASOGFBCKJ-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.06
Rot. Bonds8

About N-tert-butyl-5-(3-methyl-4-propan-2-ylphenoxy)pentan-1-amine

N-tert-butyl-5-(3-methyl-4-propan-2-ylphenoxy)pentan-1-amine (PubChem CID 63498749) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-tert-butyl-5-(3-methyl-4-propan-2-ylphenoxy)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(3-methyl-4-propan-2-ylphenoxy)pentan-1-amine
PubChem CID63498749
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-tert-butyl-5-(3-methyl-4-propan-2-ylphenoxy)pentan-1-amine
SMILESCc1cc(OCCCCCNC(C)(C)C)ccc1C(C)C
InChIInChI=1S/C19H33NO/c1-15(2)18-11-10-17(14-16(18)3)21-13-9-7-8-12-20-19(4,5)6/h10-11,14-15,20H,7-9,12-13H2,1-6H3
InChIKeyNTRJNASOGFBCKJ-UHFFFAOYSA-N
XLogP5.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.06
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-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine
CID 2299544
4-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55077310
5-(3-methyl-4-propan-2-ylphenoxy)-N-propylpentan-1-amine
CID 63498576
N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]hexan-1-amine
CID 60661709
N-tert-butyl-5-(4-chloro-3,5-dimethylphenoxy)pentan-1-amine
CID 63497724
3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
CID 43509991
3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 60690385
N-tert-butyl-5-(4-tert-butylphenoxy)pentan-1-amine
CID 63497163
(2S)-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 2182357
N-tert-butyl-4-(3,5-dimethylphenoxy)butan-1-amine
CID 2250755
N-tert-butyl-5-(2,3-dihydro-1H-inden-5-yloxy)pentan-1-amine
CID 62458571
3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]aniline
CID 63505257

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(3-methyl-4-propan-2-ylphenoxy)pentan-1-amine?
The IUPAC name of N-tert-butyl-5-(3-methyl-4-propan-2-ylphenoxy)pentan-1-amine (CID 63498749) is N-tert-butyl-5-(3-methyl-4-propan-2-ylphenoxy)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-5-(3-methyl-4-propan-2-ylphenoxy)pentan-1-amine?
The canonical SMILES for N-tert-butyl-5-(3-methyl-4-propan-2-ylphenoxy)pentan-1-amine is Cc1cc(OCCCCCNC(C)(C)C)ccc1C(C)C.
What is the InChIKey of N-tert-butyl-5-(3-methyl-4-propan-2-ylphenoxy)pentan-1-amine?
The InChIKey is NTRJNASOGFBCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-15(2)18-11-10-17(14-16(18)3)21-13-9-7-8-12-20-19(4,5)6/h10-11,14-15,20H,7-9,12-13H2,1-6H3.
What are the key properties of N-tert-butyl-5-(3-methyl-4-propan-2-ylphenoxy)pentan-1-amine?
N-tert-butyl-5-(3-methyl-4-propan-2-ylphenoxy)pentan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(3-methyl-4-propan-2-ylphenoxy)pentan-1-amine is sourced from PubChem (CID 63498749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).